3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine

C14H14N4O — CID 117388991

IUPAC3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine
SMILESCn1ccnc1Cc1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C14H14N4O/c1-18-7-6-16-14(18)8-10-2-4-11(5-3-10)12-9-13(15)19-17-12/h2-7,9H,8,15H2,1H3
InChIKeySDIUKLCPDHSASR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.25
Rot. Bonds3

About 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine

3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine (PubChem CID 117388991) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine
PubChem CID117388991
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine
SMILESCn1ccnc1Cc1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C14H14N4O/c1-18-7-6-16-14(18)8-10-2-4-11(5-3-10)12-9-13(15)19-17-12/h2-7,9H,8,15H2,1H3
InChIKeySDIUKLCPDHSASR-UHFFFAOYSA-N
XLogP2.25
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine (CID 117388991) is 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine is Cn1ccnc1Cc1ccc(-c2cc(N)on2)cc1.
What is the InChIKey of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
The InChIKey is SDIUKLCPDHSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-7-6-16-14(18)8-10-2-4-11(5-3-10)12-9-13(15)19-17-12/h2-7,9H,8,15H2,1H3.
What are the key properties of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine has a molecular weight of 254.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117388991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).