N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H21N3O3 — CID 95718758

IUPACN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC[C@]1(O)CCCNCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O3/c21-16(19-12-17(22)7-4-9-18-10-8-17)14-11-15(23-20-14)13-5-2-1-3-6-13/h1-3,5-6,11,18,22H,4,7-10,12H2,(H,19,21)/t17-/m0/s1
InChIKeyRXRZRRVQONFZDP-KRWDZBQOSA-N
MW315.37 g/mol
LogP1.58
Rot. Bonds4

About N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 95718758) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID95718758
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC[C@]1(O)CCCNCC1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O3/c21-16(19-12-17(22)7-4-9-18-10-8-17)14-11-15(23-20-14)13-5-2-1-3-6-13/h1-3,5-6,11,18,22H,4,7-10,12H2,(H,19,21)/t17-/m0/s1
InChIKeyRXRZRRVQONFZDP-KRWDZBQOSA-N
XLogP1.58
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 111445679
1-[[(5-phenyl-1,2-oxazole-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544037
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199
N-[(1-hydroxycycloheptyl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 111538994
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-2-methyl-4-phenylpyridine-3-carboxamide
CID 95718959
5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188168
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120859066
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
N-[2-(hydroxymethyl)cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 103751269

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 95718758) is N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC[C@]1(O)CCCNCC1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is RXRZRRVQONFZDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(19-12-17(22)7-4-9-18-10-8-17)14-11-15(23-20-14)13-5-2-1-3-6-13/h1-3,5-6,11,18,22H,4,7-10,12H2,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-4-hydroxyazepan-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95718758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).