N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide

C19H18N2O3 — CID 110681429

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-9-5-6-14(12-16)10-11-20-18(22)17-13-21-19(24-17)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyYQPNNBOURFAMKU-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 110681429) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID110681429
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H18N2O3/c1-23-16-9-5-6-14(12-16)10-11-20-18(22)17-13-21-19(24-17)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,22)
InChIKeyYQPNNBOURFAMKU-UHFFFAOYSA-N
XLogP3.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681428
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110648494
5-[benzyl(methyl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189231
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681416
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide (CID 110681429) is N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide is COc1cccc(CCNC(=O)c2cnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is YQPNNBOURFAMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-16-9-5-6-14(12-16)10-11-20-18(22)17-13-21-19(24-17)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110681429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).