4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C12H18N4O2 — CID 114282704

IUPAC4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCc1nc(-c2noc(C(C(C)C)C(C)N)n2)co1
InChIInChI=1S/C12H18N4O2/c1-6(2)10(7(3)13)12-15-11(16-18-12)9-5-17-8(4)14-9/h5-7,10H,13H2,1-4H3
InChIKeyCWIWFLQDFMLZDP-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.12
Rot. Bonds4

About 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 114282704) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID114282704
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCc1nc(-c2noc(C(C(C)C)C(C)N)n2)co1
InChIInChI=1S/C12H18N4O2/c1-6(2)10(7(3)13)12-15-11(16-18-12)9-5-17-8(4)14-9/h5-7,10H,13H2,1-4H3
InChIKeyCWIWFLQDFMLZDP-UHFFFAOYSA-N
XLogP2.12
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130517493
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82903110
5-ethenyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 130517490
N-methyl-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 130517495
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
5-(4-chlorophenyl)-3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazole
CID 99963115
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 103375293
1-amino-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 43807265
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
(1S)-1-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899796
1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529198

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 114282704) is 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is Cc1nc(-c2noc(C(C(C)C)C(C)N)n2)co1.
What is the InChIKey of 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is CWIWFLQDFMLZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-6(2)10(7(3)13)12-15-11(16-18-12)9-5-17-8(4)14-9/h5-7,10H,13H2,1-4H3.
What are the key properties of 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 250.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 114282704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).