2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide

C13H10ClN5O2 — CID 146263255

IUPAC2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cn[nH]c3)ccc2Cl)co1
InChIInChI=1S/C13H10ClN5O2/c14-9-2-1-7(8-4-16-17-5-8)3-10(9)18-12(20)11-6-21-13(15)19-11/h1-6H,(H2,15,19)(H,16,17)(H,18,20)
InChIKeyPLBJYKXAHUSATA-UHFFFAOYSA-N
MW303.71 g/mol
LogP2.55
Rot. Bonds3

About 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide

2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 146263255) has the molecular formula C13H10ClN5O2 and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID146263255
Molecular FormulaC13H10ClN5O2
Molecular Weight303.71 g/mol
Exact Mass303.05
IUPAC Name2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(-c3cn[nH]c3)ccc2Cl)co1
InChIInChI=1S/C13H10ClN5O2/c14-9-2-1-7(8-4-16-17-5-8)3-10(9)18-12(20)11-6-21-13(15)19-11/h1-6H,(H2,15,19)(H,16,17)(H,18,20)
InChIKeyPLBJYKXAHUSATA-UHFFFAOYSA-N
XLogP2.55
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257772
2-amino-N-[2-chloro-5-[6-[3-(propan-2-ylamino)propoxy]-3-pyridinyl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186965
2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 135198585
2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186929
2-amino-N-[2-chloro-5-[1-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]pyrazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257779
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
methyl 2-chloro-5-(1H-pyrazol-4-yl)benzoate
CID 129283677
CID 153280818
CID 153280818
2-chloro-N-cyclopropyl-5-(1H-pyrazol-4-yl)benzamide
CID 129283620
2-amino-N-[2-chloro-5-[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135198519
2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde
CID 153387709
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 146263255) is 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)Nc2cc(-c3cn[nH]c3)ccc2Cl)co1.
What is the InChIKey of 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PLBJYKXAHUSATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2/c14-9-2-1-7(8-4-16-17-5-8)3-10(9)18-12(20)11-6-21-13(15)19-11/h1-6H,(H2,15,19)(H,16,17)(H,18,20).
What are the key properties of 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide?
2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 303.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 146263255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).