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

C14H18N2O2 — CID 113354064

IUPACN-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
SMILESCOC(C)C(C)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(11(2)17-3)16-13-6-4-12(5-7-13)14-8-15-9-18-14/h4-11,16H,1-3H3
InChIKeySIGODQZATSGUOE-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.18
Rot. Bonds5

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

N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline (PubChem CID 113354064) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
PubChem CID113354064
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline
SMILESCOC(C)C(C)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C14H18N2O2/c1-10(11(2)17-3)16-13-6-4-12(5-7-13)14-8-15-9-18-14/h4-11,16H,1-3H3
InChIKeySIGODQZATSGUOE-UHFFFAOYSA-N
XLogP3.18
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline (CID 113354064) is N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline is COC(C)C(C)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is SIGODQZATSGUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(11(2)17-3)16-13-6-4-12(5-7-13)14-8-15-9-18-14/h4-11,16H,1-3H3.
What are the key properties of N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline?
N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 246.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 113354064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).