N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide

C20H22N2O3 — CID 96572832

IUPACN-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)no1
InChIInChI=1S/C20H22N2O3/c1-2-7-16-14-18(22-25-16)20(23)21-12-11-17(19-10-6-13-24-19)15-8-4-3-5-9-15/h3-6,8-10,13-14,17H,2,7,11-12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyUVMJENKCPQXRTL-KRWDZBQOSA-N
MW338.41 g/mol
LogP4.17
Rot. Bonds8

About N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide

N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 96572832) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID96572832
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)no1
InChIInChI=1S/C20H22N2O3/c1-2-7-16-14-18(22-25-16)20(23)21-12-11-17(19-10-6-13-24-19)15-8-4-3-5-9-15/h3-6,8-10,13-14,17H,2,7,11-12H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyUVMJENKCPQXRTL-KRWDZBQOSA-N
XLogP4.17
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5307986
5-(difluoromethyl)-N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449599
5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449598
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
CID 25453971
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97120628
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96581160
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70742905
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 72915757

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 96572832) is N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCC[C@@H](c2ccccc2)c2ccco2)no1.
What is the InChIKey of N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is UVMJENKCPQXRTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-7-16-14-18(22-25-16)20(23)21-12-11-17(19-10-6-13-24-19)15-8-4-3-5-9-15/h3-6,8-10,13-14,17H,2,7,11-12H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96572832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).