(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine

C10H12N2O2 — CID 117110094

IUPAC(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine
SMILESCOc1ccc2onc(C)c2c1CN
InChIInChI=1S/C10H12N2O2/c1-6-10-7(5-11)8(13-2)3-4-9(10)14-12-6/h3-4H,5,11H2,1-2H3
InChIKeyPDWHWKCWJIIOKR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.60
Rot. Bonds2

About (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine

(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine (PubChem CID 117110094) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine
PubChem CID117110094
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine
SMILESCOc1ccc2onc(C)c2c1CN
InChIInChI=1S/C10H12N2O2/c1-6-10-7(5-11)8(13-2)3-4-9(10)14-12-6/h3-4H,5,11H2,1-2H3
InChIKeyPDWHWKCWJIIOKR-UHFFFAOYSA-N
XLogP1.60
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-(1-Benzylpiperidin-4-yl)ethyl)-5-methoxybenzo[d]isoxazole
CID 10405626
2-(5-Methoxy-1,2-benzoxazol-3-yl)acetic acid
CID 12208914
(5-Methoxy-1,2-benzoxazol-3-yl)methanesulfonamide
CID 12507009
3-(Bromomethyl)-5-methoxy-1,2-benzoxazole
CID 12208924
1,2-Benzoxazol-3-ylmethanamine
CID 12279194
(1,2-Benzoxazol-3-yl)methanamine hydrochloride
CID 12279195
5H-Naphtho[1,8-cd]isoxazol-5-one
CID 363037
1-[5-(3-Methoxyphenyl)-3-isoxazolyl]methanamine hydrochloride
CID 50998515
(4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid
CID 168300856
N-ethyl-N-{[5-(3-methoxyphenyl)-3-isoxazolyl]methyl}amine
CID 46743748
5-Methoxy-3-methylbenzo[c]isoxazole
CID 15313229
5-Methoxy-1,2-benzoxazole
CID 19020726

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine?
The IUPAC name of (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine (CID 117110094) is (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine.
What is the SMILES notation for (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine?
The canonical SMILES for (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine is COc1ccc2onc(C)c2c1CN.
What is the InChIKey of (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine?
The InChIKey is PDWHWKCWJIIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-10-7(5-11)8(13-2)3-4-9(10)14-12-6/h3-4H,5,11H2,1-2H3.
What are the key properties of (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine?
(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine has a molecular weight of 192.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine is sourced from PubChem (CID 117110094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).