2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide

C14H16ClN5O2 — CID 135198585

IUPAC2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(N3CCNCC3)ccc2Cl)co1
InChIInChI=1S/C14H16ClN5O2/c15-10-2-1-9(20-5-3-17-4-6-20)7-11(10)18-13(21)12-8-22-14(16)19-12/h1-2,7-8,17H,3-6H2,(H2,16,19)(H,18,21)
InChIKeyQUCBJPGRVNHKPK-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide

2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 135198585) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID135198585
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cc(N3CCNCC3)ccc2Cl)co1
InChIInChI=1S/C14H16ClN5O2/c15-10-2-1-9(20-5-3-17-4-6-20)7-11(10)18-13(21)12-8-22-14(16)19-12/h1-2,7-8,17H,3-6H2,(H2,16,19)(H,18,21)
InChIKeyQUCBJPGRVNHKPK-UHFFFAOYSA-N
XLogP1.57
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-chloro-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135186929
[4-[3-[(2-amino-1,3-oxazole-4-carbonyl)amino]-4-bromophenyl]piperazin-1-yl]-methylborinic acid
CID 153280788
2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide
CID 166955580
2-amino-N-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 146263255
2-amino-N-[5-(4-ethenylsulfanylpiperazin-1-yl)-2-methylphenyl]-1,3-oxazole-4-carboxamide
CID 166955537
2-amino-N-[2-bromo-5-[4-(3-chloropropylsulfonyl)piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 135187010
2-amino-N-[2-bromo-5-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 153280785
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
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
2-amino-N-[2-chloro-5-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 146257772
[3-[[4-[3-[(2-amino-1,3-oxazole-4-carbonyl)amino]-4-bromophenyl]-2-oxopiperazin-1-yl]methyl]azetidin-1-yl]-methylborinic acid
CID 153280790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide (CID 135198585) is 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)Nc2cc(N3CCNCC3)ccc2Cl)co1.
What is the InChIKey of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QUCBJPGRVNHKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c15-10-2-1-9(20-5-3-17-4-6-20)7-11(10)18-13(21)12-8-22-14(16)19-12/h1-2,7-8,17H,3-6H2,(H2,16,19)(H,18,21).
What are the key properties of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide?
2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 321.77 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 135198585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).