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

C16H21N3O2 — CID 110684758

IUPACN-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-10(2)14-15(21-11(3)17-14)16(20)18-12-6-8-13(9-7-12)19(4)5/h6-10H,1-5H3,(H,18,20)
InChIKeyBXYMDAWGFGKOMK-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.42
Rot. Bonds4

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

N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110684758) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110684758
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C(C)C)c(C(=O)Nc2ccc(N(C)C)cc2)o1
InChIInChI=1S/C16H21N3O2/c1-10(2)14-15(21-11(3)17-14)16(20)18-12-6-8-13(9-7-12)19(4)5/h6-10H,1-5H3,(H,18,20)
InChIKeyBXYMDAWGFGKOMK-UHFFFAOYSA-N
XLogP3.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-propan-2-yl-N-(4-propan-2-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 110684741
N-(3,4-dimethoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684744
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684763
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684731
N-(2,6-difluorophenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684790
2-methyl-4-propan-2-yl-N-pyrimidin-2-yl-1,3-oxazole-5-carboxamide
CID 110684765
N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684721
2-methyl-4-propan-2-yl-N-prop-2-enyl-1,3-oxazole-5-carboxamide
CID 110684617
N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515175
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320944
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282
N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110861926

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110684758) is N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is Cc1nc(C(C)C)c(C(=O)Nc2ccc(N(C)C)cc2)o1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is BXYMDAWGFGKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)14-15(21-11(3)17-14)16(20)18-12-6-8-13(9-7-12)19(4)5/h6-10H,1-5H3,(H,18,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110684758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).