3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide

C9H12ClN3O3 — CID 106375343

IUPAC3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
SMILESCc1cnc(CNC(=O)NC(=O)CCCl)o1
InChIInChI=1S/C9H12ClN3O3/c1-6-4-11-8(16-6)5-12-9(15)13-7(14)2-3-10/h4H,2-3,5H2,1H3,(H2,12,13,14,15)
InChIKeyZHAYOHSVIDWBGV-UHFFFAOYSA-N
MW245.67 g/mol
LogP0.94
Rot. Bonds4

About 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide

3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide (PubChem CID 106375343) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
PubChem CID106375343
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide
SMILESCc1cnc(CNC(=O)NC(=O)CCCl)o1
InChIInChI=1S/C9H12ClN3O3/c1-6-4-11-8(16-6)5-12-9(15)13-7(14)2-3-10/h4H,2-3,5H2,1H3,(H2,12,13,14,15)
InChIKeyZHAYOHSVIDWBGV-UHFFFAOYSA-N
XLogP0.94
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetic acid
CID 106374600
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
4-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103811586
1-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106374467
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
2-(tert-butylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 103726080

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide (CID 106375343) is 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide is Cc1cnc(CNC(=O)NC(=O)CCCl)o1.
What is the InChIKey of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide?
The InChIKey is ZHAYOHSVIDWBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-6-4-11-8(16-6)5-12-9(15)13-7(14)2-3-10/h4H,2-3,5H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide?
3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide has a molecular weight of 245.67 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]propanamide is sourced from PubChem (CID 106375343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).