5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine

C12H20N2O2 — CID 103558607

IUPAC5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1CC1(OC)CCC1
InChIInChI=1S/C12H20N2O2/c1-3-5-9-10(16-14-11(9)13)8-12(15-2)6-4-7-12/h3-8H2,1-2H3,(H2,13,14)
InChIKeyQHNFKHXJCLJFMH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.32
Rot. Bonds5

About 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine

5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine (PubChem CID 103558607) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine
PubChem CID103558607
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1CC1(OC)CCC1
InChIInChI=1S/C12H20N2O2/c1-3-5-9-10(16-14-11(9)13)8-12(15-2)6-4-7-12/h3-8H2,1-2H3,(H2,13,14)
InChIKeyQHNFKHXJCLJFMH-UHFFFAOYSA-N
XLogP2.32
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2-oxazol-3-amine
CID 103558593
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 103558587
5-(cyclopentylmethyl)-4-propyl-1,2-oxazol-3-amine
CID 79412982
4-ethyl-5-propyl-1,2-oxazol-3-amine
CID 66198038
5-(3-phenylpropyl)-4-propyl-1,2-oxazol-3-amine
CID 79412877
2-[(1-methoxycyclobutyl)methyl]-4-propyl-1,3-oxazole-5-carboxylic acid
CID 103558549
1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 103557972
4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine
CID 103558694
5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79413104
1-[5-[(1-methoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 103557993
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
1-methoxy-1-propylcyclobutane
CID 118668756

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine (CID 103558607) is 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1CC1(OC)CCC1.
What is the InChIKey of 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine?
The InChIKey is QHNFKHXJCLJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-9-10(16-14-11(9)13)8-12(15-2)6-4-7-12/h3-8H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine?
5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine has a molecular weight of 224.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycyclobutyl)methyl]-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 103558607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).