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

C21H18N6O3 — CID 46417635

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)no1
InChIInChI=1S/C21H18N6O3/c1-29-18-8-3-2-7-16(18)19-12-17(24-30-19)21(28)22-14-6-4-5-13(11-14)20-23-25-26-27(20)15-9-10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,28)
InChIKeyXAMIKXSZEOJVPZ-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.59
Rot. Bonds6

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

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46417635) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID46417635
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)no1
InChIInChI=1S/C21H18N6O3/c1-29-18-8-3-2-7-16(18)19-12-17(24-30-19)21(28)22-14-6-4-5-13(11-14)20-23-25-26-27(20)15-9-10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,28)
InChIKeyXAMIKXSZEOJVPZ-UHFFFAOYSA-N
XLogP3.59
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
5-(2-methoxyphenyl)-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46417466
5-(2-methoxyphenyl)-N-[3-(phenylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 46417646
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 41172918
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
CID 41181527
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide
CID 60541651
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
5-(2-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 37342704
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 46417635) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)no1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XAMIKXSZEOJVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3/c1-29-18-8-3-2-7-16(18)19-12-17(24-30-19)21(28)22-14-6-4-5-13(11-14)20-23-25-26-27(20)15-9-10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,28).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46417635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).