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

C15H20ClN5O2 — CID 166955580

IUPAC2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide
SMILESCC1(N)NC(C(=O)Nc2cc(N3CCNCC3)ccc2Cl)=CO1
InChIInChI=1S/C15H20ClN5O2/c1-15(17)20-13(9-23-15)14(22)19-12-8-10(2-3-11(12)16)21-6-4-18-5-7-21/h2-3,8-9,18,20H,4-7,17H2,1H3,(H,19,22)
InChIKeyXULPYRKKLIFIGX-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.78
Rot. Bonds3

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

2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide (PubChem CID 166955580) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide
PubChem CID166955580
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide
SMILESCC1(N)NC(C(=O)Nc2cc(N3CCNCC3)ccc2Cl)=CO1
InChIInChI=1S/C15H20ClN5O2/c1-15(17)20-13(9-23-15)14(22)19-12-8-10(2-3-11(12)16)21-6-4-18-5-7-21/h2-3,8-9,18,20H,4-7,17H2,1H3,(H,19,22)
InChIKeyXULPYRKKLIFIGX-UHFFFAOYSA-N
XLogP0.78
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 135198585
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
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N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 110361913
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
2-chloro-N-(2-chloro-5-morpholin-4-ylphenyl)acetamide
CID 43822469
1-(4-chloro-3-nitrophenyl)piperazine
CID 4738747
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide
CID 135187431
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide (CID 166955580) is 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide is CC1(N)NC(C(=O)Nc2cc(N3CCNCC3)ccc2Cl)=CO1.
What is the InChIKey of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide?
The InChIKey is XULPYRKKLIFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-15(17)20-13(9-23-15)14(22)19-12-8-10(2-3-11(12)16)21-6-4-18-5-7-21/h2-3,8-9,18,20H,4-7,17H2,1H3,(H,19,22).
What are the key properties of 2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide?
2-amino-N-(2-chloro-5-piperazin-1-ylphenyl)-2-methyl-3H-1,3-oxazole-4-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 0.78, 3 rotatable bonds, 4 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)-2-methyl-3H-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166955580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).