N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H17N7O4 — CID 167978131

IUPACN-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1-n1cnnn1
InChIInChI=1S/C20H17N7O4/c1-12-16(10-22-31-12)20(29)24-15-6-4-14(5-7-15)23-19(28)13-3-8-18(30-2)17(9-13)27-11-21-25-26-27/h3-11H,1-2H3,(H,23,28)(H,24,29)
InChIKeyONOWJMOVLIDHQJ-UHFFFAOYSA-N
MW419.40 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 167978131) has the molecular formula C20H17N7O4 and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID167978131
Molecular FormulaC20H17N7O4
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC NameN-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1-n1cnnn1
InChIInChI=1S/C20H17N7O4/c1-12-16(10-22-31-12)20(29)24-15-6-4-14(5-7-15)23-19(28)13-3-8-18(30-2)17(9-13)27-11-21-25-26-27/h3-11H,1-2H3,(H,23,28)(H,24,29)
InChIKeyONOWJMOVLIDHQJ-UHFFFAOYSA-N
XLogP2.47
TPSA137.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3,4,5-trimethoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776858
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]acetamide
CID 44615707
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119798049
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
N-(1-ethylcyclobutyl)-4-methoxy-3-(tetrazol-1-yl)benzamide
CID 75519257

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 167978131) is N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1-n1cnnn1.
What is the InChIKey of N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ONOWJMOVLIDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O4/c1-12-16(10-22-31-12)20(29)24-15-6-4-14(5-7-15)23-19(28)13-3-8-18(30-2)17(9-13)27-11-21-25-26-27/h3-11H,1-2H3,(H,23,28)(H,24,29).
What are the key properties of N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167978131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).