(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C13H19N5O2 — CID 30720638

IUPAC(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N(C)Cc2cnn(C)c2)on1
InChIInChI=1S/C13H19N5O2/c1-9-5-12(20-16-9)15-13(19)10(2)17(3)7-11-6-14-18(4)8-11/h5-6,8,10H,7H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeySWPHOEJDBXBPTQ-JTQLQIEISA-N
MW277.33 g/mol
LogP1.18
Rot. Bonds5

About (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 30720638) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID30720638
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N(C)Cc2cnn(C)c2)on1
InChIInChI=1S/C13H19N5O2/c1-9-5-12(20-16-9)15-13(19)10(2)17(3)7-11-6-14-18(4)8-11/h5-6,8,10H,7H2,1-4H3,(H,15,19)/t10-/m0/s1
InChIKeySWPHOEJDBXBPTQ-JTQLQIEISA-N
XLogP1.18
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 30720638) is (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N(C)Cc2cnn(C)c2)on1.
What is the InChIKey of (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is SWPHOEJDBXBPTQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-5-12(20-16-9)15-13(19)10(2)17(3)7-11-6-14-18(4)8-11/h5-6,8,10H,7H2,1-4H3,(H,15,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 277.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 30720638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).