N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C22H25N3O3 — CID 18080011

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H25N3O3/c1-16-20(21(24-28-16)17-9-4-2-5-10-17)22(26)23-15-18(19-11-8-14-27-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,23,26)
InChIKeyVLVQDHPVHFBEMC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.20
Rot. Bonds6

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 18080011) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID18080011
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H25N3O3/c1-16-20(21(24-28-16)17-9-4-2-5-10-17)22(26)23-15-18(19-11-8-14-27-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,23,26)
InChIKeyVLVQDHPVHFBEMC-UHFFFAOYSA-N
XLogP4.20
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60533854
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 34668497
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2494653
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26004114
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34864710
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 18080011) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VLVQDHPVHFBEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-20(21(24-28-16)17-9-4-2-5-10-17)22(26)23-15-18(19-11-8-14-27-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,23,26).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18080011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).