4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine

C14H15N3O2 — CID 116832014

IUPAC4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCc1nc2ccc(-c3nc(N)oc3C(C)C)cc2o1
InChIInChI=1S/C14H15N3O2/c1-7(2)13-12(17-14(15)19-13)9-4-5-10-11(6-9)18-8(3)16-10/h4-7H,1-3H3,(H2,15,17)
InChIKeyKOULIHXDJPTZAH-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.50
Rot. Bonds2

About 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine

4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine (PubChem CID 116832014) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
PubChem CID116832014
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCc1nc2ccc(-c3nc(N)oc3C(C)C)cc2o1
InChIInChI=1S/C14H15N3O2/c1-7(2)13-12(17-14(15)19-13)9-4-5-10-11(6-9)18-8(3)16-10/h4-7H,1-3H3,(H2,15,17)
InChIKeyKOULIHXDJPTZAH-UHFFFAOYSA-N
XLogP3.50
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine
CID 116831941
5-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-2-amine
CID 116831978
4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
CID 105472326
4-(4-chlorophenyl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 105498422
4-(2-methyl-5-propan-2-yl-1,3-oxazol-4-yl)aniline
CID 83887171
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
6-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-benzoxazole
CID 116888966
4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966109
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
The IUPAC name of 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine (CID 116832014) is 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine is Cc1nc2ccc(-c3nc(N)oc3C(C)C)cc2o1.
What is the InChIKey of 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
The InChIKey is KOULIHXDJPTZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-7(2)13-12(17-14(15)19-13)9-4-5-10-11(6-9)18-8(3)16-10/h4-7H,1-3H3,(H2,15,17).
What are the key properties of 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine has a molecular weight of 257.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).