N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine

C14H18N2O — CID 19082398

IUPACN,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1-c1cccc(C)c1
InChIInChI=1S/C14H18N2O/c1-4-16(5-2)13-10-17-15-14(13)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3
InChIKeyBACKRNYGYLMVEL-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.50
Rot. Bonds4

About N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine

N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine (PubChem CID 19082398) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine
PubChem CID19082398
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine
SMILESCCN(CC)c1conc1-c1cccc(C)c1
InChIInChI=1S/C14H18N2O/c1-4-16(5-2)13-10-17-15-14(13)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3
InChIKeyBACKRNYGYLMVEL-UHFFFAOYSA-N
XLogP3.50
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine?
The IUPAC name of N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine (CID 19082398) is N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine.
What is the SMILES notation for N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine?
The canonical SMILES for N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine is CCN(CC)c1conc1-c1cccc(C)c1.
What is the InChIKey of N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine?
The InChIKey is BACKRNYGYLMVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-16(5-2)13-10-17-15-14(13)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine?
N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine has a molecular weight of 230.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-methylphenyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 19082398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).