N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide

C23H22ClN3O3 — CID 16601221

IUPACN-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H22ClN3O3/c24-18-8-6-16(7-9-18)20-14-26-22(30-20)11-10-21(28)25-13-15-2-1-3-19(12-15)27-23(29)17-4-5-17/h1-3,6-9,12,14,17H,4-5,10-11,13H2,(H,25,28)(H,27,29)
InChIKeyMMHIRHPCOPJOSZ-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.59
Rot. Bonds8

About N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 16601221) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID16601221
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC NameN-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H22ClN3O3/c24-18-8-6-16(7-9-18)20-14-26-22(30-20)11-10-21(28)25-13-15-2-1-3-19(12-15)27-23(29)17-4-5-17/h1-3,6-9,12,14,17H,4-5,10-11,13H2,(H,25,28)(H,27,29)
InChIKeyMMHIRHPCOPJOSZ-UHFFFAOYSA-N
XLogP4.59
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 38326510
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 26129086
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55638461
N-[(3-bromophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55576627
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 18089162
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120675943
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]propanamide
CID 46446935
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119620079
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide
CID 55951696

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide (CID 16601221) is N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is MMHIRHPCOPJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c24-18-8-6-16(7-9-18)20-14-26-22(30-20)11-10-21(28)25-13-15-2-1-3-19(12-15)27-23(29)17-4-5-17/h1-3,6-9,12,14,17H,4-5,10-11,13H2,(H,25,28)(H,27,29).
What are the key properties of N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 16601221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).