3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H13ClF2N6O2 — CID 18565775

IUPAC3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H13ClF2N6O2/c1-10-17(18(25-30-10)12-4-2-3-5-13(12)20)19(29)23-9-16-24-26-27-28(16)11-6-7-14(21)15(22)8-11/h2-8H,9H2,1H3,(H,23,29)
InChIKeyBBZDHKRVCYMAMJ-UHFFFAOYSA-N
MW430.80 g/mol
LogP3.49
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 18565775) has the molecular formula C19H13ClF2N6O2 and a molecular weight of 430.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID18565775
Molecular FormulaC19H13ClF2N6O2
Molecular Weight430.80 g/mol
Exact Mass430.08
IUPAC Name3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C19H13ClF2N6O2/c1-10-17(18(25-30-10)12-4-2-3-5-13(12)20)19(29)23-9-16-24-26-27-28(16)11-6-7-14(21)15(22)8-11/h2-8H,9H2,1H3,(H,23,29)
InChIKeyBBZDHKRVCYMAMJ-UHFFFAOYSA-N
XLogP3.49
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937667
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
CID 18565743
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 16866948
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
N-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78892389
3-(2-chlorophenyl)-5-methyl-N-(naphthalen-1-ylmethyl)-1,2-oxazole-4-carboxamide
CID 112817008
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 92659553
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-5-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 16889576

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 18565775) is 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BBZDHKRVCYMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N6O2/c1-10-17(18(25-30-10)12-4-2-3-5-13(12)20)19(29)23-9-16-24-26-27-28(16)11-6-7-14(21)15(22)8-11/h2-8H,9H2,1H3,(H,23,29).
What are the key properties of 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 430.80 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18565775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).