[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid

C10H14N2O4 — CID 71150223

IUPAC[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
SMILESCC1(c2cc(NC(=O)O)no2)CCOCC1
InChIInChI=1S/C10H14N2O4/c1-10(2-4-15-5-3-10)7-6-8(12-16-7)11-9(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyCMMNPGVUQXDFCO-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.83
Rot. Bonds2

About [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid

[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid (PubChem CID 71150223) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
PubChem CID71150223
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
SMILESCC1(c2cc(NC(=O)O)no2)CCOCC1
InChIInChI=1S/C10H14N2O4/c1-10(2-4-15-5-3-10)7-6-8(12-16-7)11-9(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyCMMNPGVUQXDFCO-UHFFFAOYSA-N
XLogP1.83
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]carbamic acid
CID 67984181
5-(1-methylcyclohexyl)-1,2-oxazole-3-carboxylic acid
CID 115026295
7-methyl-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-1,7-diazaspiro[3.5]nonane-1-carboxamide
CID 167885380
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
3-amino-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
CID 64893505
N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-2-(oxolan-2-yl)morpholine-4-carboxamide
CID 155950679
2-[4-(6-amino-5-methyl-3-pyridinyl)phenyl]-N-[5-(1-methylcyclopropyl)-1,2-oxazol-3-yl]acetamide
CID 51030541
N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
4-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxylic acid
CID 96776388
4-methoxy-N-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 138051826
3,3-dimethyl-N-[4-(3-methyl-1,2-oxazol-5-yl)oxan-4-yl]azetidine-2-carboxamide
CID 138057337
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56783660

Frequently Asked Questions

What is the IUPAC name of [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
The IUPAC name of [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid (CID 71150223) is [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid.
What is the SMILES notation for [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
The canonical SMILES for [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid is CC1(c2cc(NC(=O)O)no2)CCOCC1.
What is the InChIKey of [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
The InChIKey is CMMNPGVUQXDFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(2-4-15-5-3-10)7-6-8(12-16-7)11-9(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid has a molecular weight of 226.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]carbamic acid is sourced from PubChem (CID 71150223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).