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

C18H18N2O3 — CID 131922221

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H18N2O3/c1-13-17(20-12-23-13)18(21)19-10-9-15(16-8-5-11-22-16)14-6-3-2-4-7-14/h2-8,11-12,15H,9-10H2,1H3,(H,19,21)
InChIKeyNXWZHGHDBXFDRQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.53
Rot. Bonds6

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

N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 131922221) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID131922221
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H18N2O3/c1-13-17(20-12-23-13)18(21)19-10-9-15(16-8-5-11-22-16)14-6-3-2-4-7-14/h2-8,11-12,15H,9-10H2,1H3,(H,19,21)
InChIKeyNXWZHGHDBXFDRQ-UHFFFAOYSA-N
XLogP3.53
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97120628
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96572832
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
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
CID 25453971
2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768758
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 131922221) is N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCCC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is NXWZHGHDBXFDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-17(20-12-23-13)18(21)19-10-9-15(16-8-5-11-22-16)14-6-3-2-4-7-14/h2-8,11-12,15H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131922221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).