8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

C21H23N3O2 — CID 174603939

IUPAC8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(CN)cc1
InChIInChI=1S/C21H23N3O2/c1-13-20(16-7-5-14(12-22)6-8-16)26-21(23-13)24-19-4-2-3-15-9-10-17(25)11-18(15)19/h2-8,17,25H,9-12,22H2,1H3,(H,23,24)
InChIKeyOYRDABXWXZTHIH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.70
Rot. Bonds4

About 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol

8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 174603939) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID174603939
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(CN)cc1
InChIInChI=1S/C21H23N3O2/c1-13-20(16-7-5-14(12-22)6-8-16)26-21(23-13)24-19-4-2-3-15-9-10-17(25)11-18(15)19/h2-8,17,25H,9-12,22H2,1H3,(H,23,24)
InChIKeyOYRDABXWXZTHIH-UHFFFAOYSA-N
XLogP3.70
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 174603939) is 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is Cc1nc(Nc2cccc3c2CC(O)CC3)oc1-c1ccc(CN)cc1.
What is the InChIKey of 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is OYRDABXWXZTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-20(16-7-5-14(12-22)6-8-16)26-21(23-13)24-19-4-2-3-15-9-10-17(25)11-18(15)19/h2-8,17,25H,9-12,22H2,1H3,(H,23,24).
What are the key properties of 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol?
8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 349.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-[4-(aminomethyl)phenyl]-4-methyl-1,3-oxazol-2-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 174603939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).