4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

C23H22N2O3 — CID 118792250

IUPAC4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)on1
InChIInChI=1S/C23H22N2O3/c1-15-13-21(28-24-15)14-25(2)23(27)20-11-5-17(6-12-20)16-3-7-18(8-4-16)22(26)19-9-10-19/h3-8,11-13,19H,9-10,14H2,1-2H3
InChIKeyXTOPEUNGZRITQM-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.51
Rot. Bonds6

About 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide

4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 118792250) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID118792250
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)on1
InChIInChI=1S/C23H22N2O3/c1-15-13-21(28-24-15)14-25(2)23(27)20-11-5-17(6-12-20)16-3-7-18(8-4-16)22(26)19-9-10-19/h3-8,11-13,19H,9-10,14H2,1-2H3
InChIKeyXTOPEUNGZRITQM-UHFFFAOYSA-N
XLogP4.51
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide with MolForge

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Related Compounds

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]quinoline-6-carboxamide
CID 166370943
5-[(4-acetylphenoxy)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791526
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]cyclobutan-1-ol
CID 126856628
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
CID 167590752
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]azetidin-3-amine
CID 66185057
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(3-oxo-2-azaspiro[4.5]decan-2-yl)acetamide
CID 72911343
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135921912
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide (CID 118792250) is 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is Cc1cc(CN(C)C(=O)c2ccc(-c3ccc(C(=O)C4CC4)cc3)cc2)on1.
What is the InChIKey of 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is XTOPEUNGZRITQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15-13-21(28-24-15)14-25(2)23(27)20-11-5-17(6-12-20)16-3-7-18(8-4-16)22(26)19-9-10-19/h3-8,11-13,19H,9-10,14H2,1-2H3.
What are the key properties of 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide?
4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 118792250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).