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

C14H14N6O3 — CID 131931402

IUPACN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)c1oc(C)nc1C
InChIInChI=1S/C14H14N6O3/c1-8-13(23-9(2)16-8)14(21)17-11-5-4-10(6-12(11)22-3)20-7-15-18-19-20/h4-7H,1-3H3,(H,17,21)
InChIKeyRACHHYUBRVYHKX-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.53
Rot. Bonds4

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

N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 131931402) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID131931402
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC NameN-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)c1oc(C)nc1C
InChIInChI=1S/C14H14N6O3/c1-8-13(23-9(2)16-8)14(21)17-11-5-4-10(6-12(11)22-3)20-7-15-18-19-20/h4-7H,1-3H3,(H,17,21)
InChIKeyRACHHYUBRVYHKX-UHFFFAOYSA-N
XLogP1.53
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 131944143
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-propylbenzamide
CID 131949493
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131910795
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 131931402) is N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is COc1cc(-n2cnnn2)ccc1NC(=O)c1oc(C)nc1C.
What is the InChIKey of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is RACHHYUBRVYHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-8-13(23-9(2)16-8)14(21)17-11-5-4-10(6-12(11)22-3)20-7-15-18-19-20/h4-7H,1-3H3,(H,17,21).
What are the key properties of N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(tetrazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131931402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).