N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

C16H21ClN4O2S — CID 87006494

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC(C)c3ccc(Cl)s3)CC2)no1
InChIInChI=1S/C16H21ClN4O2S/c1-11-9-13(19-23-11)10-20-5-7-21(8-6-20)16(22)18-12(2)14-3-4-15(17)24-14/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyKYHMUSNRKDNZOZ-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 87006494) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID87006494
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC(C)c3ccc(Cl)s3)CC2)no1
InChIInChI=1S/C16H21ClN4O2S/c1-11-9-13(19-23-11)10-20-5-7-21(8-6-20)16(22)18-12(2)14-3-4-15(17)24-14/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,22)
InChIKeyKYHMUSNRKDNZOZ-UHFFFAOYSA-N
XLogP3.29
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 8636472
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide
CID 95134415
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132
1-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97088653
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86907151
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
N-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86947452
(1-aminocyclopropyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 119835162
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110624494
(2S)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8994154
(3,4-dichlorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423059

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide (CID 87006494) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC(C)c3ccc(Cl)s3)CC2)no1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is KYHMUSNRKDNZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-11-9-13(19-23-11)10-20-5-7-21(8-6-20)16(22)18-12(2)14-3-4-15(17)24-14/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,22).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 368.89 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 87006494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).