N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C15H16N6O3S — CID 134028009

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C15H16N6O3S/c1-9-14(10(2)24-17-9)25(22,23)18-12-5-3-11(4-6-12)15-16-19-20-21(15)13-7-8-13/h3-6,13,18H,7-8H2,1-2H3
InChIKeyRVYZFCQOXDJJPM-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.08
Rot. Bonds5

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 134028009) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID134028009
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C15H16N6O3S/c1-9-14(10(2)24-17-9)25(22,23)18-12-5-3-11(4-6-12)15-16-19-20-21(15)13-7-8-13/h3-6,13,18H,7-8H2,1-2H3
InChIKeyRVYZFCQOXDJJPM-UHFFFAOYSA-N
XLogP2.08
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,4-difluorobenzenesulfonamide
CID 36590901
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
3-cyano-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 134027999
N-[4-(1H-imidazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 84512965
N-[4-(dimethylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8603709
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642
ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 134028009) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is RVYZFCQOXDJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-9-14(10(2)24-17-9)25(22,23)18-12-5-3-11(4-6-12)15-16-19-20-21(15)13-7-8-13/h3-6,13,18H,7-8H2,1-2H3.
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 360.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 134028009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).