4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine

C13H14N2O — CID 62881244

IUPAC4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine
SMILESCc1c(C2(c3ccccc3)CC2)noc1N
InChIInChI=1S/C13H14N2O/c1-9-11(15-16-12(9)14)13(7-8-13)10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3
InChIKeyQRTHHNOTAWAQTJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.65
Rot. Bonds2

About 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine

4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine (PubChem CID 62881244) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine
PubChem CID62881244
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine
SMILESCc1c(C2(c3ccccc3)CC2)noc1N
InChIInChI=1S/C13H14N2O/c1-9-11(15-16-12(9)14)13(7-8-13)10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3
InChIKeyQRTHHNOTAWAQTJ-UHFFFAOYSA-N
XLogP2.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-diphenyl-5,6-dihydro-4H-2,1-benzoxazol-3-amine
CID 139771029
4-methyl-2-(1-phenylcyclobutyl)pyrimidin-5-amine
CID 114207036
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
3-(1-methylcyclohexyl)-4-phenyl-1,2-oxazol-5-amine
CID 106827668
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62879541
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
3-(5-methylpyrimidin-2-yl)-5-(1-phenylcyclobutyl)-1,2,4-oxadiazole
CID 100692250
5-(1-phenylcyclopropyl)-1,3,4-oxadiazol-2-amine
CID 62877248
6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 112681528
4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915917
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine (CID 62881244) is 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine is Cc1c(C2(c3ccccc3)CC2)noc1N.
What is the InChIKey of 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine?
The InChIKey is QRTHHNOTAWAQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-11(15-16-12(9)14)13(7-8-13)10-5-3-2-4-6-10/h2-6H,7-8,14H2,1H3.
What are the key properties of 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine?
4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine has a molecular weight of 214.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-phenylcyclopropyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62881244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).