N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide

C18H17ClN4O3 — CID 110361358

IUPACN-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-12-2-1-3-13(10-12)20-17(24)23-8-6-22(7-9-23)14-4-5-15-16(11-14)26-18(25)21-15/h1-5,10-11H,6-9H2,(H,20,24)(H,21,25)
InChIKeySGVLCLDBBMZPKE-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.13
Rot. Bonds2

About N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide (PubChem CID 110361358) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
PubChem CID110361358
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-12-2-1-3-13(10-12)20-17(24)23-8-6-22(7-9-23)14-4-5-15-16(11-14)26-18(25)21-15/h1-5,10-11H,6-9H2,(H,20,24)(H,21,25)
InChIKeySGVLCLDBBMZPKE-UHFFFAOYSA-N
XLogP3.13
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
6-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361418
N-(3-chlorophenyl)-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640806
6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361332
N-(3-chlorophenyl)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)piperazine-1-carboxamide
CID 110414498
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390433
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide (CID 110361358) is N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc3[nH]c(=O)oc3c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
The InChIKey is SGVLCLDBBMZPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-12-2-1-3-13(10-12)20-17(24)23-8-6-22(7-9-23)14-4-5-15-16(11-14)26-18(25)21-15/h1-5,10-11H,6-9H2,(H,20,24)(H,21,25).
What are the key properties of N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110361358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).