N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine

C26H26N6O — CID 155537257

IUPACN-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc2cc(C)ccc2o1
InChIInChI=1S/C26H26N6O/c1-3-4-15-32(26-27-23-16-18(2)9-14-24(23)33-26)17-19-10-12-20(13-11-19)21-7-5-6-8-22(21)25-28-30-31-29-25/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,29,30,31)
InChIKeyAWLAWBNOZKJSML-UHFFFAOYSA-N
MW438.54 g/mol
LogP5.79
Rot. Bonds8

About N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine

N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 155537257) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
PubChem CID155537257
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC NameN-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc2cc(C)ccc2o1
InChIInChI=1S/C26H26N6O/c1-3-4-15-32(26-27-23-16-18(2)9-14-24(23)33-26)17-19-10-12-20(13-11-19)21-7-5-6-8-22(21)25-28-30-31-29-25/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,29,30,31)
InChIKeyAWLAWBNOZKJSML-UHFFFAOYSA-N
XLogP5.79
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-butyl-5,7-dichloro-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine
CID 155519969
N-butyl-2-chloro-6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19791758
N-butyl-2-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 67874673
N-butyl-2-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19792003
N-butyl-N-[(1S)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 155525712
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]benzoic acid
CID 15657980
N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
CID 15658030
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-sulfonic acid
CID 19791774
3,6-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-amine
CID 19791902
ethyl 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
CID 10254184
2-[4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-ethylpyrimidin-5-yl]acetic acid
CID 19791728
2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 67874142

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine (CID 155537257) is N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine is CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc2cc(C)ccc2o1.
What is the InChIKey of N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is AWLAWBNOZKJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-3-4-15-32(26-27-23-16-18(2)9-14-24(23)33-26)17-19-10-12-20(13-11-19)21-7-5-6-8-22(21)25-28-30-31-29-25/h5-14,16H,3-4,15,17H2,1-2H3,(H,28,29,30,31).
What are the key properties of N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine?
N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 438.54 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 155537257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).