5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid

C14H23N3O4 — CID 106374847

IUPAC5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
SMILESCc1cnc(CNC(=O)NCC(CC(=O)O)CC(C)C)o1
InChIInChI=1S/C14H23N3O4/c1-9(2)4-11(5-13(18)19)7-16-14(20)17-8-12-15-6-10(3)21-12/h6,9,11H,4-5,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPDIFOELIBUEQFV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.92
Rot. Bonds8

About 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid

5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid (PubChem CID 106374847) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
PubChem CID106374847
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
SMILESCc1cnc(CNC(=O)NCC(CC(=O)O)CC(C)C)o1
InChIInChI=1S/C14H23N3O4/c1-9(2)4-11(5-13(18)19)7-16-14(20)17-8-12-15-6-10(3)21-12/h6,9,11H,4-5,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyPDIFOELIBUEQFV-UHFFFAOYSA-N
XLogP1.92
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid with MolForge

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Related Compounds

2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
3-methoxy-4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114180678
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374415
(2S)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanedioic acid
CID 106374550
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 113266895
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2R)-2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanedioic acid
CID 106374611
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid (CID 106374847) is 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid is Cc1cnc(CNC(=O)NCC(CC(=O)O)CC(C)C)o1.
What is the InChIKey of 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid?
The InChIKey is PDIFOELIBUEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9(2)4-11(5-13(18)19)7-16-14(20)17-8-12-15-6-10(3)21-12/h6,9,11H,4-5,7-8H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid?
5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid has a molecular weight of 297.36 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid is sourced from PubChem (CID 106374847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).