N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide

C21H25N3O3 — CID 171911153

IUPACN-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide
SMILESCC1(C(=O)N[C@H](Cc2ccccc2)c2nc(C(=O)NC3CCC3)co2)CC1
InChIInChI=1S/C21H25N3O3/c1-21(10-11-21)20(26)24-16(12-14-6-3-2-4-7-14)19-23-17(13-27-19)18(25)22-15-8-5-9-15/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,22,25)(H,24,26)/t16-/m1/s1
InChIKeyZGFYTMZZGKZUJE-MRXNPFEDSA-N
MW367.45 g/mol
LogP3.16
Rot. Bonds7

About N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide

N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 171911153) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide
PubChem CID171911153
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide
SMILESCC1(C(=O)N[C@H](Cc2ccccc2)c2nc(C(=O)NC3CCC3)co2)CC1
InChIInChI=1S/C21H25N3O3/c1-21(10-11-21)20(26)24-16(12-14-6-3-2-4-7-14)19-23-17(13-27-19)18(25)22-15-8-5-9-15/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,22,25)(H,24,26)/t16-/m1/s1
InChIKeyZGFYTMZZGKZUJE-MRXNPFEDSA-N
XLogP3.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3788135
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 3866332
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744
2-(1-aminopropyl)-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 3865431
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3671354
4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 171911097
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
2-(1-amino-2-phenylethyl)-N-[1-(3-tricyclo[4.3.1.03,8]decanyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3847950
(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide
CID 10550753

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide (CID 171911153) is N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide is CC1(C(=O)N[C@H](Cc2ccccc2)c2nc(C(=O)NC3CCC3)co2)CC1.
What is the InChIKey of N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZGFYTMZZGKZUJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(10-11-21)20(26)24-16(12-14-6-3-2-4-7-14)19-23-17(13-27-19)18(25)22-15-8-5-9-15/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,22,25)(H,24,26)/t16-/m1/s1.
What are the key properties of N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide?
N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(1R)-1-[(1-methylcyclopropanecarbonyl)amino]-2-phenylethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171911153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).