N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline

C16H15N3O — CID 171976930

IUPACN,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline
SMILESCN(C)c1ccc(-c2cnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)14-7-5-12(6-8-14)15-11-18-16(20-15)13-4-3-9-17-10-13/h3-11H,1-2H3
InChIKeyMQTQKDHMMHZCKG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.47
Rot. Bonds3

About N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline

N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline (PubChem CID 171976930) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline
PubChem CID171976930
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline
SMILESCN(C)c1ccc(-c2cnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C16H15N3O/c1-19(2)14-7-5-12(6-8-14)15-11-18-16(20-15)13-4-3-9-17-10-13/h3-11H,1-2H3
InChIKeyMQTQKDHMMHZCKG-UHFFFAOYSA-N
XLogP3.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline (CID 171976930) is N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline is CN(C)c1ccc(-c2cnc(-c3cccnc3)o2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline?
The InChIKey is MQTQKDHMMHZCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(2)14-7-5-12(6-8-14)15-11-18-16(20-15)13-4-3-9-17-10-13/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline?
N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline has a molecular weight of 265.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-pyridin-3-yl-1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 171976930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).