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

C16H27N5O4S — CID 47765427

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC3CCCN(S(C)(=O)=O)C3)CC2)no1
InChIInChI=1S/C16H27N5O4S/c1-13-10-15(18-25-13)11-19-6-8-20(9-7-19)16(22)17-14-4-3-5-21(12-14)26(2,23)24/h10,14H,3-9,11-12H2,1-2H3,(H,17,22)
InChIKeyLDYXFDULIYKSHI-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.23
Rot. Bonds4

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

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide (PubChem CID 47765427) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide
PubChem CID47765427
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC3CCCN(S(C)(=O)=O)C3)CC2)no1
InChIInChI=1S/C16H27N5O4S/c1-13-10-15(18-25-13)11-19-6-8-20(9-7-19)16(22)17-14-4-3-5-21(12-14)26(2,23)24/h10,14H,3-9,11-12H2,1-2H3,(H,17,22)
InChIKeyLDYXFDULIYKSHI-UHFFFAOYSA-N
XLogP0.23
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 94017304
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 51084464
(6S)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 124944436
3-ethyl-N-(1-methylsulfonylpiperidin-3-yl)piperidine-1-carboxamide
CID 47766211
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 95134326
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
ethyl 1-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47765772
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide
CID 95134415
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
[(1R,2S)-2-aminocyclopentyl]-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 124697211
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylsulfonylpiperidin-3-yl)propanamide
CID 47909658

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide (CID 47765427) is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC3CCCN(S(C)(=O)=O)C3)CC2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide?
The InChIKey is LDYXFDULIYKSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-13-10-15(18-25-13)11-19-6-8-20(9-7-19)16(22)17-14-4-3-5-21(12-14)26(2,23)24/h10,14H,3-9,11-12H2,1-2H3,(H,17,22).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide?
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylsulfonylpiperidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47765427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).