(6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C14H18N4O3 — CID 125444998

About (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 125444998) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 125444998
• Molecular Formula: C14H18N4O3
• Molecular Weight: 290.32 g/mol
• Exact Mass: 290.14
• IUPAC Name: (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: CC(C)c1nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)O)co1
• InChI: InChI=1S/C14H18N4O3/c1-8(2)13-17-9(6-21-13)4-18-5-11-10(15-7-16-11)3-12(18)14(19)20/h6-8,12H,3-5H2,1-2H3,(H,15,16)(H,19,20)/t12-/m0/s1
• InChIKey: VVVBLNGCXSSIPY-LBPRGKRZSA-N
• XLogP: 1.53
• TPSA: 95.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.32
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 125444998) is (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)c1nc(CN2Cc3[nH]cnc3C[C@H]2C(=O)O)co1.

What is the InChIKey of (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is VVVBLNGCXSSIPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8(2)13-17-9(6-21-13)4-18-5-11-10(15-7-16-11)3-12(18)14(19)20/h6-8,12H,3-5H2,1-2H3,(H,15,16)(H,19,20)/t12-/m0/s1.

What are the key properties of (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?

(6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-5-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 125444998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).