4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline

C17H17N3O — CID 43704850

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3ccncc3)cc2)co1
InChIInChI=1S/C17H17N3O/c1-12(14-7-9-18-10-8-14)19-16-5-3-15(4-6-16)17-11-21-13(2)20-17/h3-12,19H,1-2H3
InChIKeyBVRUAYLGFJIOFZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.22
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline

4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43704850) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43704850
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3ccncc3)cc2)co1
InChIInChI=1S/C17H17N3O/c1-12(14-7-9-18-10-8-14)19-16-5-3-15(4-6-16)17-11-21-13(2)20-17/h3-12,19H,1-2H3
InChIKeyBVRUAYLGFJIOFZ-UHFFFAOYSA-N
XLogP4.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-oxazol-4-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43704849
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917439
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704811
N-(dicyclopropylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704863
N-(5-methylheptan-3-yl)-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704826
4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 103438995
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
CID 43704914
4-(2-methyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
CID 43704774
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine
CID 173233608
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline (CID 43704850) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline is Cc1nc(-c2ccc(NC(C)c3ccncc3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is BVRUAYLGFJIOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(14-7-9-18-10-8-14)19-16-5-3-15(4-6-16)17-11-21-13(2)20-17/h3-12,19H,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline?
4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 279.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43704850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).