3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide

C12H15N3O3 — CID 64891880

IUPAC3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C12H15N3O3/c13-10(16)8-1-3-9(4-2-8)15-11(17)12(14)5-6-18-7-12/h1-4H,5-7,14H2,(H2,13,16)(H,15,17)
InChIKeyRJABJAORDOJYSM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.16
Rot. Bonds3

About 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide

3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide (PubChem CID 64891880) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
PubChem CID64891880
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C12H15N3O3/c13-10(16)8-1-3-9(4-2-8)15-11(17)12(14)5-6-18-7-12/h1-4H,5-7,14H2,(H2,13,16)(H,15,17)
InChIKeyRJABJAORDOJYSM-UHFFFAOYSA-N
XLogP-0.16
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64892992
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide
CID 64892323
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180
3-amino-N-(3-pyrrol-1-ylphenyl)oxolane-3-carboxamide
CID 64893967

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide (CID 64891880) is 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide is NC(=O)c1ccc(NC(=O)C2(N)CCOC2)cc1.
What is the InChIKey of 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide?
The InChIKey is RJABJAORDOJYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-10(16)8-1-3-9(4-2-8)15-11(17)12(14)5-6-18-7-12/h1-4H,5-7,14H2,(H2,13,16)(H,15,17).
What are the key properties of 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide?
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 64891880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).