N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

C18H17ClN4O2 — CID 122562809

IUPACN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2Cl)on1)C1(Cn2ccnc2)CC1
InChIInChI=1S/C18H17ClN4O2/c19-15-4-2-1-3-14(15)16-9-13(22-25-16)10-21-17(24)18(5-6-18)11-23-8-7-20-12-23/h1-4,7-9,12H,5-6,10-11H2,(H,21,24)
InChIKeyZBTBOHRYBVCBDG-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide

N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 122562809) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID122562809
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2Cl)on1)C1(Cn2ccnc2)CC1
InChIInChI=1S/C18H17ClN4O2/c19-15-4-2-1-3-14(15)16-9-13(22-25-16)10-21-17(24)18(5-6-18)11-23-8-7-20-12-23/h1-4,7-9,12H,5-6,10-11H2,(H,21,24)
InChIKeyZBTBOHRYBVCBDG-UHFFFAOYSA-N
XLogP3.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 122562809) is N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1cc(-c2ccccc2Cl)on1)C1(Cn2ccnc2)CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ZBTBOHRYBVCBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-15-4-2-1-3-14(15)16-9-13(22-25-16)10-21-17(24)18(5-6-18)11-23-8-7-20-12-23/h1-4,7-9,12H,5-6,10-11H2,(H,21,24).
What are the key properties of N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 122562809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).