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

C8H9N3O4 — CID 138692159

IUPAC[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(C(=O)NC2CC2)co1
InChIInChI=1S/C8H9N3O4/c12-6(9-4-1-2-4)5-3-15-7(10-5)11-8(13)14/h3-4H,1-2H2,(H,9,12)(H,10,11)(H,13,14)
InChIKeyCEKITFDLVSLLIL-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.66
Rot. Bonds3

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

[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid (PubChem CID 138692159) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid
PubChem CID138692159
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(C(=O)NC2CC2)co1
InChIInChI=1S/C8H9N3O4/c12-6(9-4-1-2-4)5-3-15-7(10-5)11-8(13)14/h3-4H,1-2H2,(H,9,12)(H,10,11)(H,13,14)
InChIKeyCEKITFDLVSLLIL-UHFFFAOYSA-N
XLogP0.66
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
N-cycloheptyl-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717053
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
2-methyl-N-(3-phenylcyclobutyl)-1,3-oxazole-4-carboxamide
CID 138993563
2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 810603
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209353
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 3866332
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid?
The IUPAC name of [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid (CID 138692159) is [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid?
The canonical SMILES for [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid is O=C(O)Nc1nc(C(=O)NC2CC2)co1.
What is the InChIKey of [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid?
The InChIKey is CEKITFDLVSLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-6(9-4-1-2-4)5-3-15-7(10-5)11-8(13)14/h3-4H,1-2H2,(H,9,12)(H,10,11)(H,13,14).
What are the key properties of [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid?
[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid has a molecular weight of 211.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid is sourced from PubChem (CID 138692159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).