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

C19H22N4O4 — CID 72903115

IUPACN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2c(=O)[nH]c3ccccc32)on1
InChIInChI=1S/C19H22N4O4/c1-12-8-14(27-22-12)9-13-10-26-11-16(13)20-18(24)6-7-23-17-5-3-2-4-15(17)21-19(23)25/h2-5,8,13,16H,6-7,9-11H2,1H3,(H,20,24)(H,21,25)/t13-,16+/m1/s1
InChIKeyRYCJVDCPWMVEBB-CJNGLKHVSA-N
MW370.41 g/mol
LogP1.39
Rot. Bonds6

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

N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide (PubChem CID 72903115) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
PubChem CID72903115
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2c(=O)[nH]c3ccccc32)on1
InChIInChI=1S/C19H22N4O4/c1-12-8-14(27-22-12)9-13-10-26-11-16(13)20-18(24)6-7-23-17-5-3-2-4-15(17)21-19(23)25/h2-5,8,13,16H,6-7,9-11H2,1H3,(H,20,24)(H,21,25)/t13-,16+/m1/s1
InChIKeyRYCJVDCPWMVEBB-CJNGLKHVSA-N
XLogP1.39
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The IUPAC name of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide (CID 72903115) is N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The canonical SMILES for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2c(=O)[nH]c3ccccc32)on1.
What is the InChIKey of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
The InChIKey is RYCJVDCPWMVEBB-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12-8-14(27-22-12)9-13-10-26-11-16(13)20-18(24)6-7-23-17-5-3-2-4-15(17)21-19(23)25/h2-5,8,13,16H,6-7,9-11H2,1H3,(H,20,24)(H,21,25)/t13-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide?
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide has a molecular weight of 370.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide is sourced from PubChem (CID 72903115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).