3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

C19H22N4O3 — CID 72890701

IUPAC3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2cnc3ccccc32)on1
InChIInChI=1S/C19H22N4O3/c1-13-8-15(26-22-13)9-14-10-25-11-17(14)21-19(24)6-7-23-12-20-16-4-2-3-5-18(16)23/h2-5,8,12,14,17H,6-7,9-11H2,1H3,(H,21,24)/t14-,17+/m1/s1
InChIKeyJWOBCIQAEMVGLS-PBHICJAKSA-N
MW354.41 g/mol
LogP2.10
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (PubChem CID 72890701) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
PubChem CID72890701
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2cnc3ccccc32)on1
InChIInChI=1S/C19H22N4O3/c1-13-8-15(26-22-13)9-14-10-25-11-17(14)21-19(24)6-7-23-12-20-16-4-2-3-5-18(16)23/h2-5,8,12,14,17H,6-7,9-11H2,1H3,(H,21,24)/t14-,17+/m1/s1
InChIKeyJWOBCIQAEMVGLS-PBHICJAKSA-N
XLogP2.10
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (CID 72890701) is 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2cnc3ccccc32)on1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The InChIKey is JWOBCIQAEMVGLS-PBHICJAKSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-8-15(26-22-13)9-14-10-25-11-17(14)21-19(24)6-7-23-12-20-16-4-2-3-5-18(16)23/h2-5,8,12,14,17H,6-7,9-11H2,1H3,(H,21,24)/t14-,17+/m1/s1.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is sourced from PubChem (CID 72890701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).