2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole

C18H21N5O — CID 77086270

IUPAC2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole
SMILESCC(C)c1nc(CN2CCc3nc(-c4cccnc4)[nH]c3C2)co1
InChIInChI=1S/C18H21N5O/c1-12(2)18-20-14(11-24-18)9-23-7-5-15-16(10-23)22-17(21-15)13-4-3-6-19-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3,(H,21,22)
InChIKeyNOFZZZYZJACFFT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.14
Rot. Bonds4

About 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole

2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole (PubChem CID 77086270) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole
PubChem CID77086270
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole
SMILESCC(C)c1nc(CN2CCc3nc(-c4cccnc4)[nH]c3C2)co1
InChIInChI=1S/C18H21N5O/c1-12(2)18-20-14(11-24-18)9-23-7-5-15-16(10-23)22-17(21-15)13-4-3-6-19-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3,(H,21,22)
InChIKeyNOFZZZYZJACFFT-UHFFFAOYSA-N
XLogP3.14
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole (CID 77086270) is 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole is CC(C)c1nc(CN2CCc3nc(-c4cccnc4)[nH]c3C2)co1.
What is the InChIKey of 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole?
The InChIKey is NOFZZZYZJACFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)18-20-14(11-24-18)9-23-7-5-15-16(10-23)22-17(21-15)13-4-3-6-19-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole?
2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole has a molecular weight of 323.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 77086270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).