N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C22H23N3O4 — CID 55667851

IUPACN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C22H23N3O4/c26-21(23-14-16-9-6-12-28-16)17-10-4-5-11-18(17)24-22(27)20-13-19(25-29-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,16,20H,6,9,12-14H2,(H,23,26)(H,24,27)
InChIKeyPTEORJTWKLNJLJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 55667851) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID55667851
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccccc1NC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C22H23N3O4/c26-21(23-14-16-9-6-12-28-16)17-10-4-5-11-18(17)24-22(27)20-13-19(25-29-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,16,20H,6,9,12-14H2,(H,23,26)(H,24,27)
InChIKeyPTEORJTWKLNJLJ-UHFFFAOYSA-N
XLogP2.73
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
(5R)-3-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093659
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
(3R)-5-oxo-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 9350768
(5R)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503556
(5S)-3-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503557
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 55667851) is N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCC1CCCO1)c1ccccc1NC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is PTEORJTWKLNJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(23-14-16-9-6-12-28-16)17-10-4-5-11-18(17)24-22(27)20-13-19(25-29-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,16,20H,6,9,12-14H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55667851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).