(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid

C7H10N2O3 — CID 149149378

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid
SMILESCc1noc(C)c1N(C)C(=O)O
InChIInChI=1S/C7H10N2O3/c1-4-6(5(2)12-8-4)9(3)7(10)11/h1-3H3,(H,10,11)
InChIKeyPPHIOKQGPKXZSZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.41
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid

(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid (PubChem CID 149149378) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid
PubChem CID149149378
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid
SMILESCc1noc(C)c1N(C)C(=O)O
InChIInChI=1S/C7H10N2O3/c1-4-6(5(2)12-8-4)9(3)7(10)11/h1-3H3,(H,10,11)
InChIKeyPPHIOKQGPKXZSZ-UHFFFAOYSA-N
XLogP1.41
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-2-oxoethyl]cyclopentyl]-N-methylacetamide
CID 166217851
6-chloro-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridine-3-carboxamide
CID 71983520
(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylcarbamic acid;hydrochloride
CID 70634600
3-[2-[(S)-benzylsulfinyl]ethyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylurea
CID 97225895
2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
CID 82398410
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]acetic acid
CID 83821117
1-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-(2-propan-2-ylindazol-5-yl)urea
CID 71970215
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylsulfamoyl]phenyl]propanoic acid
CID 91643754
N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine
CID 130677337
1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide
CID 75446709
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanedioic acid
CID 162373151

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid (CID 149149378) is (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid is Cc1noc(C)c1N(C)C(=O)O.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid?
The InChIKey is PPHIOKQGPKXZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-6(5(2)12-8-4)9(3)7(10)11/h1-3H3,(H,10,11).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid?
(3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid has a molecular weight of 170.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-methylcarbamic acid is sourced from PubChem (CID 149149378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).