N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

C16H20N2O3 — CID 91954151

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCC2(CO)CC2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H20N2O3/c1-15(14(20)17-10-16(11-19)7-8-16)9-13(18-21-15)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3,(H,17,20)
InChIKeyZDBNNVMWBJTHJM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.46
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 91954151) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID91954151
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)NCC2(CO)CC2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H20N2O3/c1-15(14(20)17-10-16(11-19)7-8-16)9-13(18-21-15)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3,(H,17,20)
InChIKeyZDBNNVMWBJTHJM-UHFFFAOYSA-N
XLogP1.46
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91954537
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
CID 126821084
(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465461
(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 125447128
(5S)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465357
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051942
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
[3-methyl-1-[(5-methyl-3-phenyl-4H-1,2-oxazole-5-carbonyl)amino]butyl]boronic acid
CID 174058339

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 91954151) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)NCC2(CO)CC2)CC(c2ccccc2)=NO1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is ZDBNNVMWBJTHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-15(14(20)17-10-16(11-19)7-8-16)9-13(18-21-15)12-5-3-2-4-6-12/h2-6,19H,7-11H2,1H3,(H,17,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91954151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).