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

C15H18N2O2 — CID 116832007

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H18N2O2/c1-9(2)14-13(17-15(16)19-14)11-5-6-12-10(8-11)4-3-7-18-12/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17)
InChIKeyRMKZPQQSHZXBCP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.37
Rot. Bonds2

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

4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine (PubChem CID 116832007) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
PubChem CID116832007
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)c1oc(N)nc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H18N2O2/c1-9(2)14-13(17-15(16)19-14)11-5-6-12-10(8-11)4-3-7-18-12/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17)
InChIKeyRMKZPQQSHZXBCP-UHFFFAOYSA-N
XLogP3.37
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
5-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-2-amine
CID 116831978
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
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)-6-methylpyrimidin-5-amine
CID 82477480
4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
CID 105472326
4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832014
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
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
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine (CID 116832007) is 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine is CC(C)c1oc(N)nc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
The InChIKey is RMKZPQQSHZXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)14-13(17-15(16)19-14)11-5-6-12-10(8-11)4-3-7-18-12/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17).
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine?
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine has a molecular weight of 258.32 g/mol, XLogP of 3.37, 2 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-propan-2-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).