N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

C19H23N7O2 — CID 134020195

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)on1
InChIInChI=1S/C19H23N7O2/c1-19(2,3)15-10-17(28-23-15)21-16(27)11-20-13-6-4-12(5-7-13)18-22-24-25-26(18)14-8-9-14/h4-7,10,14,20H,8-9,11H2,1-3H3,(H,21,27)
InChIKeyNTHKERIGMOFHJU-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.01
Rot. Bonds6

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (PubChem CID 134020195) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
PubChem CID134020195
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
SMILESCC(C)(C)c1cc(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)on1
InChIInChI=1S/C19H23N7O2/c1-19(2,3)15-10-17(28-23-15)21-16(27)11-20-13-6-4-12(5-7-13)18-22-24-25-26(18)14-8-9-14/h4-7,10,14,20H,8-9,11H2,1-3H3,(H,21,27)
InChIKeyNTHKERIGMOFHJU-UHFFFAOYSA-N
XLogP3.01
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide (CID 134020195) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is CC(C)(C)c1cc(NC(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
The InChIKey is NTHKERIGMOFHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-19(2,3)15-10-17(28-23-15)21-16(27)11-20-13-6-4-12(5-7-13)18-22-24-25-26(18)14-8-9-14/h4-7,10,14,20H,8-9,11H2,1-3H3,(H,21,27).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide has a molecular weight of 381.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide is sourced from PubChem (CID 134020195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).