N-(3-methyl-1,2-oxazol-5-yl)carbamate

C5H5N2O3- — CID 22936595

IUPACN-(3-methyl-1,2-oxazol-5-yl)carbamate
SMILESCc1cc(NC(=O)[O-])on1
InChIInChI=1S/C5H6N2O3/c1-3-2-4(10-7-3)6-5(8)9/h2,6H,1H3,(H,8,9)/p-1
InChIKeyJKSVQADQPPQJCR-UHFFFAOYSA-M
MW141.11 g/mol
LogP-0.26
Rot. Bonds1

About N-(3-methyl-1,2-oxazol-5-yl)carbamate

N-(3-methyl-1,2-oxazol-5-yl)carbamate (PubChem CID 22936595) has the molecular formula C5H5N2O3- and a molecular weight of 141.11 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)carbamate.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)carbamate
PubChem CID22936595
Molecular FormulaC5H5N2O3-
Molecular Weight141.11 g/mol
Exact Mass141.03
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)carbamate
SMILESCc1cc(NC(=O)[O-])on1
InChIInChI=1S/C5H6N2O3/c1-3-2-4(10-7-3)6-5(8)9/h2,6H,1H3,(H,8,9)/p-1
InChIKeyJKSVQADQPPQJCR-UHFFFAOYSA-M
XLogP-0.26
TPSA78.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
CID 43616283
2-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 65487181
(E)-4-[(3-methyl-1,2-oxazol-5-yl)amino]-4-oxobut-2-enoic acid
CID 65486420
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
cis-(1S,3R)-2,2-dimethyl-3-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95389924
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
2-cyano-2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 55207137
3-chloro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284583
2-(1-aminocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 64683322
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)carbamate?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)carbamate (CID 22936595) is N-(3-methyl-1,2-oxazol-5-yl)carbamate.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)carbamate?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)carbamate is Cc1cc(NC(=O)[O-])on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)carbamate?
The InChIKey is JKSVQADQPPQJCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O3/c1-3-2-4(10-7-3)6-5(8)9/h2,6H,1H3,(H,8,9)/p-1.
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)carbamate?
N-(3-methyl-1,2-oxazol-5-yl)carbamate has a molecular weight of 141.11 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)carbamate is sourced from PubChem (CID 22936595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).