N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C26H35N5O5 — CID 146426802

IUPACN-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C[C@@H](CNC(=O)[C@@H](C)N)C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)ccc1O
InChIInChI=1S/C26H35N5O5/c1-15-11-17(3-6-22(15)32)12-19(14-28-24(33)16(2)27)26(35)31-9-7-20(8-10-31)29-25(34)21-13-23(36-30-21)18-4-5-18/h3,6,11,13,16,18-20,32H,4-5,7-10,12,14,27H2,1-2H3,(H,28,33)(H,29,34)/t16-,19+/m1/s1
InChIKeyOQDZGRBWQLEZQB-APWZRJJASA-N
MW497.60 g/mol
LogP1.61
Rot. Bonds9

About N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 146426802) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID146426802
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC NameN-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C[C@@H](CNC(=O)[C@@H](C)N)C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)ccc1O
InChIInChI=1S/C26H35N5O5/c1-15-11-17(3-6-22(15)32)12-19(14-28-24(33)16(2)27)26(35)31-9-7-20(8-10-31)29-25(34)21-13-23(36-30-21)18-4-5-18/h3,6,11,13,16,18-20,32H,4-5,7-10,12,14,27H2,1-2H3,(H,28,33)(H,29,34)/t16-,19+/m1/s1
InChIKeyOQDZGRBWQLEZQB-APWZRJJASA-N
XLogP1.61
TPSA150.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[1-[(2S)-2-[[[(3R)-3-aminobutanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 146426801
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245413
N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188190
N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188195
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
N-[1-[1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188112
[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
CID 118948589
N-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]butanamide
CID 145039927
N-[1-(4-aminocyclohexanecarbonyl)pyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386475

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 146426802) is N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is Cc1cc(C[C@@H](CNC(=O)[C@@H](C)N)C(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)ccc1O.
What is the InChIKey of N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is OQDZGRBWQLEZQB-APWZRJJASA-N. The full InChI is InChI=1S/C26H35N5O5/c1-15-11-17(3-6-22(15)32)12-19(14-28-24(33)16(2)27)26(35)31-9-7-20(8-10-31)29-25(34)21-13-23(36-30-21)18-4-5-18/h3,6,11,13,16,18-20,32H,4-5,7-10,12,14,27H2,1-2H3,(H,28,33)(H,29,34)/t16-,19+/m1/s1.
What are the key properties of N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 1.61, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-[[[(2R)-2-aminopropanoyl]amino]methyl]-3-(4-hydroxy-3-methylphenyl)propanoyl]piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146426802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).