3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid

C8H12N2O3 — CID 22170016

IUPAC3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid
SMILESCc1cnc(CCCNC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-6-5-10-7(13-6)3-2-4-9-8(11)12/h5,9H,2-4H2,1H3,(H,11,12)
InChIKeyHTYRPBMPDGGRPR-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.18
Rot. Bonds4

About 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid

3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid (PubChem CID 22170016) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid.

Molecular Properties

Compound Name3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid
PubChem CID22170016
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid
SMILESCc1cnc(CCCNC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-6-5-10-7(13-6)3-2-4-9-8(11)12/h5,9H,2-4H2,1H3,(H,11,12)
InChIKeyHTYRPBMPDGGRPR-UHFFFAOYSA-N
XLogP1.18
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-propyloxazole
CID 529034
Methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 86014949
Ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 134997222
3-[5-(2,2,2-Trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178545
2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propyl]propan-1-amine
CID 65184438
N-(2-methoxyethyl)-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65184900
N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186974
N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187034
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187351
N-methyl-3-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187436
3-[5-(Trifluoromethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82401522
3-Fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid
CID 83817640

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid?
The IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid (CID 22170016) is 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid.
What is the SMILES notation for 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid?
The canonical SMILES for 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid is Cc1cnc(CCCNC(=O)O)o1.
What is the InChIKey of 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid?
The InChIKey is HTYRPBMPDGGRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-5-10-7(13-6)3-2-4-9-8(11)12/h5,9H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid?
3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid has a molecular weight of 184.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-oxazol-2-yl)propylcarbamic acid is sourced from PubChem (CID 22170016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).