N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine

C14H11N5O — CID 3365598

IUPACN-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine
SMILESc1ccc2c(c1)nnn2CNc1cccc2ocnc12
InChIInChI=1S/C14H11N5O/c1-2-6-12-10(4-1)17-18-19(12)8-15-11-5-3-7-13-14(11)16-9-20-13/h1-7,9,15H,8H2
InChIKeyVKFWZIAKWXPXJB-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.64
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine

N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine (PubChem CID 3365598) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine
PubChem CID3365598
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC NameN-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine
SMILESc1ccc2c(c1)nnn2CNc1cccc2ocnc12
InChIInChI=1S/C14H11N5O/c1-2-6-12-10(4-1)17-18-19(12)8-15-11-5-3-7-13-14(11)16-9-20-13/h1-7,9,15H,8H2
InChIKeyVKFWZIAKWXPXJB-UHFFFAOYSA-N
XLogP2.64
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzotriazol-1-ylmethyl)-2,3-dichloroaniline
CID 761479
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
CID 1240078
N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline
CID 683943
1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887
4-(benzotriazol-1-ylmethylamino)-1,2,5-oxadiazole-3-carbonitrile
CID 776321
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
N-[(5-methylbenzotriazol-1-yl)methyl]naphthalen-1-amine
CID 828169
2-(benzotriazol-1-ylmethylamino)-5-chlorobenzoate
CID 6989643
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
N-(benzotriazol-1-ylmethyl)-4-(pyridin-4-ylmethyl)aniline
CID 21233477

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine (CID 3365598) is N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine is c1ccc2c(c1)nnn2CNc1cccc2ocnc12.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine?
The InChIKey is VKFWZIAKWXPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-2-6-12-10(4-1)17-18-19(12)8-15-11-5-3-7-13-14(11)16-9-20-13/h1-7,9,15H,8H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine?
N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine has a molecular weight of 265.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine is sourced from PubChem (CID 3365598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).