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

C22H25N3O2 — CID 24830307

IUPAC2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2C)cc1)N(C)C
InChIInChI=1S/C22H25N3O2/c1-5-20(25(3)4)21(26)24-18-10-8-16(9-11-18)19-14-17(7-6-15(19)2)22-23-12-13-27-22/h6-14,20H,5H2,1-4H3,(H,24,26)
InChIKeyIEQKEHVSKBNBSX-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.60
Rot. Bonds6

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

2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide (PubChem CID 24830307) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide
PubChem CID24830307
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2C)cc1)N(C)C
InChIInChI=1S/C22H25N3O2/c1-5-20(25(3)4)21(26)24-18-10-8-16(9-11-18)19-14-17(7-6-15(19)2)22-23-12-13-27-22/h6-14,20H,5H2,1-4H3,(H,24,26)
InChIKeyIEQKEHVSKBNBSX-UHFFFAOYSA-N
XLogP4.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]propanamide
CID 59002699
(Z)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3-methyl-4-pyridinyl)prop-2-enamide
CID 69286218
2-amino-3-methyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]pentanamide
CID 119809300
3-(2,6-difluorophenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
CID 69285195
(E)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24831270
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
CID 71847661
2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122088128
2,3-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 118378708
(4-methylthiadiazol-5-yl) N-[5-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]carbamate
CID 71205541
4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]-N-[(3-methylthiophen-2-yl)methylideneamino]aniline
CID 69476709
N'-methyl-N'-[(2S)-2-methylbutyl]-N-[3-(1,3-oxazol-2-yl)phenyl]oxamide
CID 97326645
N,4-dimethyl-3-[5-(1,3-oxazol-2-yl)-2-phenylphenyl]pyridine-2-carboxamide
CID 70097443

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide?
The IUPAC name of 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide (CID 24830307) is 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide is CCC(C(=O)Nc1ccc(-c2cc(-c3ncco3)ccc2C)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide?
The InChIKey is IEQKEHVSKBNBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-20(25(3)4)21(26)24-18-10-8-16(9-11-18)19-14-17(7-6-15(19)2)22-23-12-13-27-22/h6-14,20H,5H2,1-4H3,(H,24,26).
What are the key properties of 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide?
2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide has a molecular weight of 363.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]butanamide is sourced from PubChem (CID 24830307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).