N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine

C18H17N5O — CID 162643718

IUPACN-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2o1
InChIInChI=1S/C18H17N5O/c1-11-21-14-6-13(4-5-17(14)24-11)22-18-7-16-15(8-19-18)20-10-23(16)9-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,22)
InChIKeyYJVUAYVRDJQBCX-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine

N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 162643718) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine
PubChem CID162643718
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2o1
InChIInChI=1S/C18H17N5O/c1-11-21-14-6-13(4-5-17(14)24-11)22-18-7-16-15(8-19-18)20-10-23(16)9-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,22)
InChIKeyYJVUAYVRDJQBCX-UHFFFAOYSA-N
XLogP4.03
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine (CID 162643718) is N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine is Cc1nc2cc(Nc3cc4c(cn3)ncn4CC3CC3)ccc2o1.
What is the InChIKey of N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is YJVUAYVRDJQBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11-21-14-6-13(4-5-17(14)24-11)22-18-7-16-15(8-19-18)20-10-23(16)9-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,22).
What are the key properties of N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine?
N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 319.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-yl]-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 162643718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).