2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide

C13H13N3O2 — CID 114997982

IUPAC2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H13N3O2/c14-11-5-10(11)13(17)16-9-3-1-8(2-4-9)12-6-15-7-18-12/h1-4,6-7,10-11H,5,14H2,(H,16,17)
InChIKeyXQPAPUVJFNVZGC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide

2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 114997982) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID114997982
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C13H13N3O2/c14-11-5-10(11)13(17)16-9-3-1-8(2-4-9)12-6-15-7-18-12/h1-4,6-7,10-11H,5,14H2,(H,16,17)
InChIKeyXQPAPUVJFNVZGC-UHFFFAOYSA-N
XLogP1.63
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79211350
(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide
CID 99699200
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
1-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 58677105
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 64823770
2,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 2806322
2-(cyclopropylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 54862582
2-(1-aminocyclopentyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 64684075
N-(3-methylcyclobutyl)-4-(1,3-oxazol-5-yl)aniline
CID 104860103
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 114997982) is 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide is NC1CC1C(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XQPAPUVJFNVZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11-5-10(11)13(17)16-9-3-1-8(2-4-9)12-6-15-7-18-12/h1-4,6-7,10-11H,5,14H2,(H,16,17).
What are the key properties of 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide?
2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114997982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).