4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine

C13H14N2O2 — CID 116831842

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
SMILESCc1oc(N)nc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H14N2O2/c1-8-12(15-13(14)17-8)10-4-5-11-9(7-10)3-2-6-16-11/h4-5,7H,2-3,6H2,1H3,(H2,14,15)
InChIKeyWOGCKOVZCLZBHT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.56
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine

4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine (PubChem CID 116831842) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
PubChem CID116831842
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
SMILESCc1oc(N)nc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H14N2O2/c1-8-12(15-13(14)17-8)10-4-5-11-9(7-10)3-2-6-16-11/h4-5,7H,2-3,6H2,1H3,(H2,14,15)
InChIKeyWOGCKOVZCLZBHT-UHFFFAOYSA-N
XLogP2.56
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483
2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
CID 54912524
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
CID 115023924
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
2-(3,4-dihydro-2H-chromen-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 96668443
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine (CID 116831842) is 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine is Cc1oc(N)nc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine?
The InChIKey is WOGCKOVZCLZBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-12(15-13(14)17-8)10-4-5-11-9(7-10)3-2-6-16-11/h4-5,7H,2-3,6H2,1H3,(H2,14,15).
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine?
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine has a molecular weight of 230.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116831842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).