2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide

C19H26N4O2 — CID 110684763

IUPAC2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-18(25-14(3)20-17)19(24)21-15-5-7-16(8-6-15)23-11-9-22(4)10-12-23/h5-8,13H,9-12H2,1-4H3,(H,21,24)
InChIKeySNVGQMLQJWRGRW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds4

About 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide

2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684763) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684763
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-18(25-14(3)20-17)19(24)21-15-5-7-16(8-6-15)23-11-9-22(4)10-12-23/h5-8,13H,9-12H2,1-4H3,(H,21,24)
InChIKeySNVGQMLQJWRGRW-UHFFFAOYSA-N
XLogP3.11
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 110684741
N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684758
N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684744
2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
N-(2,6-difluorophenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684790
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
2,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 126814286
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
2-(methoxymethyl)-4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 110374899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684763) is 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1.
What is the InChIKey of 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is SNVGQMLQJWRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)17-18(25-14(3)20-17)19(24)21-15-5-7-16(8-6-15)23-11-9-22(4)10-12-23/h5-8,13H,9-12H2,1-4H3,(H,21,24).
What are the key properties of 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide?
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).