2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide

C12H21N3O2 — CID 113266895

IUPAC2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
SMILESCc1cnc(CNC(=O)C(CN)CC(C)C)o1
InChIInChI=1S/C12H21N3O2/c1-8(2)4-10(5-13)12(16)15-7-11-14-6-9(3)17-11/h6,8,10H,4-5,7,13H2,1-3H3,(H,15,16)
InChIKeyZGHGCGOJADBIKW-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.22
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide

2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide (PubChem CID 113266895) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
PubChem CID113266895
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
SMILESCc1cnc(CNC(=O)C(CN)CC(C)C)o1
InChIInChI=1S/C12H21N3O2/c1-8(2)4-10(5-13)12(16)15-7-11-14-6-9(3)17-11/h6,8,10H,4-5,7,13H2,1-3H3,(H,15,16)
InChIKeyZGHGCGOJADBIKW-UHFFFAOYSA-N
XLogP1.22
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106372293
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 103827683
4-amino-3-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 107093435
3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 106371544
5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
CID 106374847
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110660403
5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
CID 103811606

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide (CID 113266895) is 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide is Cc1cnc(CNC(=O)C(CN)CC(C)C)o1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
The InChIKey is ZGHGCGOJADBIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)4-10(5-13)12(16)15-7-11-14-6-9(3)17-11/h6,8,10H,4-5,7,13H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide?
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide is sourced from PubChem (CID 113266895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).