N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

C20H27N3O4S — CID 53168509

IUPACN,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)CCc3ccccc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C20H27N3O4S/c1-15-18(20(24)22(2)3)21-19(27-15)17-9-12-23(13-10-17)28(25,26)14-11-16-7-5-4-6-8-16/h4-8,17H,9-14H2,1-3H3
InChIKeyIBSAHJUBTOEYOV-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.44
Rot. Bonds6

About N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide

N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 53168509) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID53168509
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1oc(C2CCN(S(=O)(=O)CCc3ccccc3)CC2)nc1C(=O)N(C)C
InChIInChI=1S/C20H27N3O4S/c1-15-18(20(24)22(2)3)21-19(27-15)17-9-12-23(13-10-17)28(25,26)14-11-16-7-5-4-6-8-16/h4-8,17H,9-14H2,1-3H3
InChIKeyIBSAHJUBTOEYOV-UHFFFAOYSA-N
XLogP2.44
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 53168521
2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 53195326
N,N,5-trimethyl-2-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 71837826
1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71837765
2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837657
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
[2-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-methyl-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 71837505
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239
3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 23577246
N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 58933781
2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole
CID 91625081

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide (CID 53168509) is N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is Cc1oc(C2CCN(S(=O)(=O)CCc3ccccc3)CC2)nc1C(=O)N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is IBSAHJUBTOEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-15-18(20(24)22(2)3)21-19(27-15)17-9-12-23(13-10-17)28(25,26)14-11-16-7-5-4-6-8-16/h4-8,17H,9-14H2,1-3H3.
What are the key properties of N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide?
N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53168509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).