N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide

C23H22N2O2 — CID 42790273

IUPACN-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
SMILESCCN(CC1CC(c2ccccc2)=NO1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H22N2O2/c1-2-25(16-19-15-22(24-27-19)18-10-4-3-5-11-18)23(26)21-14-8-12-17-9-6-7-13-20(17)21/h3-14,19H,2,15-16H2,1H3
InChIKeyPKQPHPFAKUNNRH-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.50
Rot. Bonds5

About N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide

N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide (PubChem CID 42790273) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
PubChem CID42790273
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
SMILESCCN(CC1CC(c2ccccc2)=NO1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H22N2O2/c1-2-25(16-19-15-22(24-27-19)18-10-4-3-5-11-18)23(26)21-14-8-12-17-9-6-7-13-20(17)21/h3-14,19H,2,15-16H2,1H3
InChIKeyPKQPHPFAKUNNRH-UHFFFAOYSA-N
XLogP4.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,3-dimethyl-1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]urea
CID 42790280
N-benzyl-N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
CID 42789990
ethyl 4-[ethyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-4-oxobutanoate
CID 42790278
3-cyclopentyl-N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
CID 42790264
N-[(2,4-difluorophenyl)methyl]-N-[[(5R)-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]naphthalene-1-carboxamide
CID 93116044
N-benzyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 42790227
N-ethyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methoxyacetamide
CID 24712066
ethyl 2-[[methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamoyl]amino]acetate
CID 42790510
3-benzyl-1-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-prop-2-enylurea
CID 7399757
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 93128456
N-ethyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3,3-dimethylbutanamide
CID 42815934
2-fluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-methylbenzamide
CID 42790305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide (CID 42790273) is N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide is CCN(CC1CC(c2ccccc2)=NO1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is PKQPHPFAKUNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-25(16-19-15-22(24-27-19)18-10-4-3-5-11-18)23(26)21-14-8-12-17-9-6-7-13-20(17)21/h3-14,19H,2,15-16H2,1H3.
What are the key properties of N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42790273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).