(6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide

C25H36N4O5 — CID 145399134

IUPAC(6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CC3(CC3)CN2C(=O)[C@@]2(CN(O)C=O)CC2C2CCCC2)no1
InChIInChI=1S/C25H36N4O5/c1-23(2,3)19-10-20(27-34-19)26-21(31)18-12-24(8-9-24)13-29(18)22(32)25(14-28(33)15-30)11-17(25)16-6-4-5-7-16/h10,15-18,33H,4-9,11-14H2,1-3H3,(H,26,27,31)/t17?,18-,25+/m0/s1
InChIKeyFAGJFUSGEKVTBK-LAKAEDQISA-N
MW472.59 g/mol
LogP3.34
Rot. Bonds7

About (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide

(6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 145399134) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID145399134
Molecular FormulaC25H36N4O5
Molecular Weight472.59 g/mol
Exact Mass472.27
IUPAC Name(6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2CC3(CC3)CN2C(=O)[C@@]2(CN(O)C=O)CC2C2CCCC2)no1
InChIInChI=1S/C25H36N4O5/c1-23(2,3)19-10-20(27-34-19)26-21(31)18-12-24(8-9-24)13-29(18)22(32)25(14-28(33)15-30)11-17(25)16-6-4-5-7-16/h10,15-18,33H,4-9,11-14H2,1-3H3,(H,26,27,31)/t17?,18-,25+/m0/s1
InChIKeyFAGJFUSGEKVTBK-LAKAEDQISA-N
XLogP3.34
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 138607301
1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 75239154
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-cyclopentylpiperidine-2-carboxamide
CID 46873516
tert-butyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 68786586
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(piperazine-1-carbonyl)piperidine-2-carboxamide
CID 70864988
(6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 138607245
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(4-methoxycyclohexyl)methyl]piperidine-2-carboxamide
CID 90773012
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-propylsulfinylazetidine-2-carboxamide
CID 135291988
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-butylsulfonylpiperidine-3-carboxamide
CID 6473130
1-[(1E,3E)-1-amino-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 89044422

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide (CID 145399134) is (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2CC3(CC3)CN2C(=O)[C@@]2(CN(O)C=O)CC2C2CCCC2)no1.
What is the InChIKey of (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is FAGJFUSGEKVTBK-LAKAEDQISA-N. The full InChI is InChI=1S/C25H36N4O5/c1-23(2,3)19-10-20(27-34-19)26-21(31)18-12-24(8-9-24)13-29(18)22(32)25(14-28(33)15-30)11-17(25)16-6-4-5-7-16/h10,15-18,33H,4-9,11-14H2,1-3H3,(H,26,27,31)/t17?,18-,25+/m0/s1.
What are the key properties of (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide?
(6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 145399134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).