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

C13H14N2O — CID 103438995

IUPACN-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CC3)cc2)co1
InChIInChI=1S/C13H14N2O/c1-9-14-13(8-16-9)10-2-4-11(5-3-10)15-12-6-7-12/h2-5,8,12,15H,6-7H2,1H3
InChIKeySUDRCKUUYSXHCC-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.22
Rot. Bonds3

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

N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline (PubChem CID 103438995) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
PubChem CID103438995
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline
SMILESCc1nc(-c2ccc(NC3CC3)cc2)co1
InChIInChI=1S/C13H14N2O/c1-9-14-13(8-16-9)10-2-4-11(5-3-10)15-12-6-7-12/h2-5,8,12,15H,6-7H2,1H3
InChIKeySUDRCKUUYSXHCC-UHFFFAOYSA-N
XLogP3.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline (CID 103438995) is N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline is Cc1nc(-c2ccc(NC3CC3)cc2)co1.
What is the InChIKey of N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline?
The InChIKey is SUDRCKUUYSXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-14-13(8-16-9)10-2-4-11(5-3-10)15-12-6-7-12/h2-5,8,12,15H,6-7H2,1H3.
What are the key properties of N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline?
N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline has a molecular weight of 214.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 103438995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).