1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine

C10H15N5O — CID 79542929

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
SMILESCc1cc(Cn2nnc(N)c2C(C)C)no1
InChIInChI=1S/C10H15N5O/c1-6(2)9-10(11)12-14-15(9)5-8-4-7(3)16-13-8/h4,6H,5,11H2,1-3H3
InChIKeyHAOJSGIRTIUSGV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.33
Rot. Bonds3

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

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine (PubChem CID 79542929) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
PubChem CID79542929
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
SMILESCc1cc(Cn2nnc(N)c2C(C)C)no1
InChIInChI=1S/C10H15N5O/c1-6(2)9-10(11)12-14-15(9)5-8-4-7(3)16-13-8/h4,6H,5,11H2,1-3H3
InChIKeyHAOJSGIRTIUSGV-UHFFFAOYSA-N
XLogP1.33
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-amine
CID 118678409
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79536330
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-propan-2-yltriazol-4-amine
CID 113289497
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79543047
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one
CID 130610500
3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 114692779
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
1-[(2-ethoxyphenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542255
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193441

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine (CID 79542929) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine is Cc1cc(Cn2nnc(N)c2C(C)C)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine?
The InChIKey is HAOJSGIRTIUSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)9-10(11)12-14-15(9)5-8-4-7(3)16-13-8/h4,6H,5,11H2,1-3H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine has a molecular weight of 221.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79542929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).