5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine

C13H14N2O2 — CID 115111671

IUPAC5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine
SMILESCOC1(c2ccccc2-c2cc(N)no2)CC1
InChIInChI=1S/C13H14N2O2/c1-16-13(6-7-13)10-5-3-2-4-9(10)11-8-12(14)15-17-11/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyUPNYTEFXBZMUJC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.56
Rot. Bonds3

About 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine

5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 115111671) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine
PubChem CID115111671
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine
SMILESCOC1(c2ccccc2-c2cc(N)no2)CC1
InChIInChI=1S/C13H14N2O2/c1-16-13(6-7-13)10-5-3-2-4-9(10)11-8-12(14)15-17-11/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyUPNYTEFXBZMUJC-UHFFFAOYSA-N
XLogP2.56
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

5-Phenyl-1,2-oxazol-3-amine
CID 3620792
5-(4-Fluorophenyl)-1,2-oxazol-3-amine
CID 13200424
5-(4-Methoxyphenyl)-1,2-oxazol-3-amine
CID 17390283
Methyl 2-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 1259271
5-(2-Methoxyphenyl)-1,2-oxazol-3-amine
CID 64983046
5-(2-Fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199795
4-Methyl-5-phenyl-1,2-oxazol-3-amine hydrochloride
CID 139026301
3-Nitro-5-phenylisoxazole
CID 12577381
5-(p-Tolyl)isoxazol-3-amine
CID 17390284
5-(3-(Trifluoromethyl)phenyl)-3-aminoisoxazole
CID 12960073
5-[4-(Trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 13035545
5-[2-(Trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 66199814

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine (CID 115111671) is 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine is COC1(c2ccccc2-c2cc(N)no2)CC1.
What is the InChIKey of 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is UPNYTEFXBZMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-13(6-7-13)10-5-3-2-4-9(10)11-8-12(14)15-17-11/h2-5,8H,6-7H2,1H3,(H2,14,15).
What are the key properties of 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine?
5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 230.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methoxycyclopropyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 115111671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).