N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide

C18H18N2O3 — CID 110387937

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-20-16-11-14(6-7-17(16)23-12)18(21)19-9-8-13-4-3-5-15(10-13)22-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)
InChIKeyZSOLPWNHPBRMSW-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide (PubChem CID 110387937) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
PubChem CID110387937
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C18H18N2O3/c1-12-20-16-11-14(6-7-17(16)23-12)18(21)19-9-8-13-4-3-5-15(10-13)22-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)
InChIKeyZSOLPWNHPBRMSW-UHFFFAOYSA-N
XLogP3.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53003089
N-[2-(3-methoxyphenyl)ethyl]-1,3-benzothiazole-5-carboxamide
CID 154802014
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055500

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide (CID 110387937) is N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide is COc1cccc(CCNC(=O)c2ccc3oc(C)nc3c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is ZSOLPWNHPBRMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-20-16-11-14(6-7-17(16)23-12)18(21)19-9-8-13-4-3-5-15(10-13)22-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.12, 5 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-methyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110387937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).