5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H18N2O5 — CID 107426984

IUPAC5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(C)N(CCCO)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H18N2O5/c1-7(2)13(4-3-5-14)10(15)9-6-8(11(16)17)12-18-9/h7,9,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyQKYLNXWGIZBADU-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.16
Rot. Bonds6

About 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426984) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426984
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(C)N(CCCO)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H18N2O5/c1-7(2)13(4-3-5-14)10(15)9-6-8(11(16)17)12-18-9/h7,9,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyQKYLNXWGIZBADU-UHFFFAOYSA-N
XLogP-0.16
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[butan-2-yl(butyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426993
5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426978
5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426983
5-[bis(prop-2-enyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426517
5-[methyl(thiophen-2-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426756
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
cis-(1S,2R)-2-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 93469209
5-[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427155
5-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427191
6-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 54916898
5-(2-methoxypropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427611
5-[(4-fluorophenyl)-methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427065

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426984) is 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC(C)N(CCCO)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is QKYLNXWGIZBADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(2)13(4-3-5-14)10(15)9-6-8(11(16)17)12-18-9/h7,9,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).