N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide

C18H23N3O4 — CID 155996403

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide
SMILESCCCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C18H23N3O4/c1-2-8-21(14-10-25-11-15(22)16(14)23)18(24)13-9-19-17(20-13)12-6-4-3-5-7-12/h3-7,9,14-16,22-23H,2,8,10-11H2,1H3,(H,19,20)/t14-,15-,16+/m1/s1
InChIKeySLMAXZHGXHUTTP-OAGGEKHMSA-N
MW345.40 g/mol
LogP1.05
Rot. Bonds5

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide (PubChem CID 155996403) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide
PubChem CID155996403
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide
SMILESCCCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C18H23N3O4/c1-2-8-21(14-10-25-11-15(22)16(14)23)18(24)13-9-19-17(20-13)12-6-4-3-5-7-12/h3-7,9,14-16,22-23H,2,8,10-11H2,1H3,(H,19,20)/t14-,15-,16+/m1/s1
InChIKeySLMAXZHGXHUTTP-OAGGEKHMSA-N
XLogP1.05
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide (CID 155996403) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide is CCCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide?
The InChIKey is SLMAXZHGXHUTTP-OAGGEKHMSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-8-21(14-10-25-11-15(22)16(14)23)18(24)13-9-19-17(20-13)12-6-4-3-5-7-12/h3-7,9,14-16,22-23H,2,8,10-11H2,1H3,(H,19,20)/t14-,15-,16+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155996403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).