4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide

C16H21ClN4O2 — CID 52999925

IUPAC4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C16H21ClN4O2/c1-2-5-18-16(22)21-8-6-20(7-9-21)11-15-19-13-4-3-12(17)10-14(13)23-15/h3-4,10H,2,5-9,11H2,1H3,(H,18,22)
InChIKeyCVGJSURHCWUGPO-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.72
Rot. Bonds4

About 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide

4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide (PubChem CID 52999925) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
PubChem CID52999925
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1
InChIInChI=1S/C16H21ClN4O2/c1-2-5-18-16(22)21-8-6-20(7-9-21)11-15-19-13-4-3-12(17)10-14(13)23-15/h3-4,10H,2,5-9,11H2,1H3,(H,18,22)
InChIKeyCVGJSURHCWUGPO-UHFFFAOYSA-N
XLogP2.72
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 53078506
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53078509
N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 93072289
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 53078522
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
2-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83949597
N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53078519
N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53085292
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
2-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-2-ethylbutanoic acid
CID 81434287
N-(2,4-dichlorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
CID 87013030
ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
CID 68700029

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide (CID 52999925) is 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(Cc2nc3ccc(Cl)cc3o2)CC1.
What is the InChIKey of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is CVGJSURHCWUGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-2-5-18-16(22)21-8-6-20(7-9-21)11-15-19-13-4-3-12(17)10-14(13)23-15/h3-4,10H,2,5-9,11H2,1H3,(H,18,22).
What are the key properties of 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide?
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 52999925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).