N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide

C18H29N5O4 — CID 54585837

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)N3CCOCC3)CC2)no1
InChIInChI=1S/C18H29N5O4/c1-18(2,3)14-13-15(20-27-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-26-12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
InChIKeyVMMUWKMECZMPAH-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.96
Rot. Bonds1

About N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 54585837) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID54585837
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)N3CCOCC3)CC2)no1
InChIInChI=1S/C18H29N5O4/c1-18(2,3)14-13-15(20-27-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-26-12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24)
InChIKeyVMMUWKMECZMPAH-UHFFFAOYSA-N
XLogP1.96
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-N-(oxan-4-yl)-1,4-diazepane-1,4-dicarboxamide
CID 54583927
tert-butyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 108812481
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-methoxycyclohexanecarbonyl)-1,4-diazepane-1-carboxamide
CID 59143438
N-(3-tert-butylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143361
5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)-4-[2-(4,4-difluoropiperidin-1-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 171932532
1-(4-acetylpiperazine-1-carbonyl)-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 75239154
(5-methyl-1,2-oxazol-3-yl)-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110645762
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
[1-(oxane-4-carbonyl)piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249906
N-(5-methyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 78993786
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(oxane-4-carbonyl)morpholine-2-carboxamide
CID 58563856

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide (CID 54585837) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide is CC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)N3CCOCC3)CC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is VMMUWKMECZMPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c1-18(2,3)14-13-15(20-27-14)19-16(24)21-5-4-6-22(8-7-21)17(25)23-9-11-26-12-10-23/h13H,4-12H2,1-3H3,(H,19,20,24).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 54585837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).