N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline

C20H22N2O — CID 56672602

IUPACN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline
SMILESCc1ccccc1-c1nc(CNc2ccc(C(C)C)cc2)co1
InChIInChI=1S/C20H22N2O/c1-14(2)16-8-10-17(11-9-16)21-12-18-13-23-20(22-18)19-7-5-4-6-15(19)3/h4-11,13-14,21H,12H2,1-3H3
InChIKeyPYNDJTQNXNJXHN-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.39
Rot. Bonds5

About N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline

N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline (PubChem CID 56672602) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline
PubChem CID56672602
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline
SMILESCc1ccccc1-c1nc(CNc2ccc(C(C)C)cc2)co1
InChIInChI=1S/C20H22N2O/c1-14(2)16-8-10-17(11-9-16)21-12-18-13-23-20(22-18)19-7-5-4-6-15(19)3/h4-11,13-14,21H,12H2,1-3H3
InChIKeyPYNDJTQNXNJXHN-UHFFFAOYSA-N
XLogP5.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Ethylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CID 974197
2-(Naphthalen-1-yl)-5-(propylamino)-1,3-oxazole-4-carbonitrile
CID 663428
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
(3R,5S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233019
(3S,5S)-5-ethyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54584609
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 2450587
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3237063
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide
CID 3244725
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
The IUPAC name of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline (CID 56672602) is N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline.
What is the SMILES notation for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
The canonical SMILES for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline is Cc1ccccc1-c1nc(CNc2ccc(C(C)C)cc2)co1.
What is the InChIKey of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
The InChIKey is PYNDJTQNXNJXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14(2)16-8-10-17(11-9-16)21-12-18-13-23-20(22-18)19-7-5-4-6-15(19)3/h4-11,13-14,21H,12H2,1-3H3.
What are the key properties of N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline?
N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline has a molecular weight of 306.41 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-4-propan-2-ylaniline is sourced from PubChem (CID 56672602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).