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

C10H14N2O4 — CID 103849615

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H14N2O4/c1-7-4-12-16-8(7)9(13)11-5-10(14)2-3-15-6-10/h4,14H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyQBYYOSVMQRKTIC-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.14
Rot. Bonds3

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

N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 103849615) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID103849615
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H14N2O4/c1-7-4-12-16-8(7)9(13)11-5-10(14)2-3-15-6-10/h4,14H,2-3,5-6H2,1H3,(H,11,13)
InChIKeyQBYYOSVMQRKTIC-UHFFFAOYSA-N
XLogP-0.14
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334355
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180
N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 103849495
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103848731
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849554
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide (CID 103849615) is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QBYYOSVMQRKTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-4-12-16-8(7)9(13)11-5-10(14)2-3-15-6-10/h4,14H,2-3,5-6H2,1H3,(H,11,13).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 103849615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).