2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine

C14H16N2O2 — CID 115066506

IUPAC2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
SMILESCOc1cccc(-c2nc3c(o2)CC(N)CC3)c1
InChIInChI=1S/C14H16N2O2/c1-17-11-4-2-3-9(7-11)14-16-12-6-5-10(15)8-13(12)18-14/h2-4,7,10H,5-6,8,15H2,1H3
InChIKeyAPPOLGXXLCVIPU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.17
Rot. Bonds2

About 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine

2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine (PubChem CID 115066506) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
PubChem CID115066506
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
SMILESCOc1cccc(-c2nc3c(o2)CC(N)CC3)c1
InChIInChI=1S/C14H16N2O2/c1-17-11-4-2-3-9(7-11)14-16-12-6-5-10(15)8-13(12)18-14/h2-4,7,10H,5-6,8,15H2,1H3
InChIKeyAPPOLGXXLCVIPU-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 66706175
2-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1,3-benzoxazine-4-thione
CID 974145
2-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066484
5-amino-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 11658697
2-(3-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308678
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066599
(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
CID 82391208
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine (CID 115066506) is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine is COc1cccc(-c2nc3c(o2)CC(N)CC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
The InChIKey is APPOLGXXLCVIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-11-4-2-3-9(7-11)14-16-12-6-5-10(15)8-13(12)18-14/h2-4,7,10H,5-6,8,15H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine?
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine has a molecular weight of 244.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine is sourced from PubChem (CID 115066506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).