1,3-oxazolidin-2-one;propan-1-ol

C6H13NO3 — CID 144673356

IUPAC1,3-oxazolidin-2-one;propan-1-ol
SMILESCCCO.O=C1NCCO1
InChIInChI=1S/C3H5NO2.C3H8O/c5-3-4-1-2-6-3;1-2-3-4/h1-2H2,(H,4,5);4H,2-3H2,1H3
InChIKeyAYPZTCKAUAGGGN-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.11
Rot. Bonds1

About 1,3-oxazolidin-2-one;propan-1-ol

1,3-oxazolidin-2-one;propan-1-ol (PubChem CID 144673356) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1,3-oxazolidin-2-one;propan-1-ol.

Molecular Properties

Compound Name1,3-oxazolidin-2-one;propan-1-ol
PubChem CID144673356
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1,3-oxazolidin-2-one;propan-1-ol
SMILESCCCO.O=C1NCCO1
InChIInChI=1S/C3H5NO2.C3H8O/c5-3-4-1-2-6-3;1-2-3-4/h1-2H2,(H,4,5);4H,2-3H2,1H3
InChIKeyAYPZTCKAUAGGGN-UHFFFAOYSA-N
XLogP0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2-hydroxyethyl)carbamate
CID 223805
4-Methyl-1,3-oxazolidin-2-one
CID 9855455
(4R)-4-(Hydroxymethyl)-2-oxazolidinone
CID 9855463
(S)-4-Methyloxazolidin-2-one
CID 8063308
4-(Hydroxymethyl)-1,3-oxazolidin-2-one
CID 14456889
(4S)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 14456890
(R)-4-Methyloxazolidin-2-one
CID 2734858
Propan-2-yl hydrogen (2-hydroxyethyl)carbonimidate
CID 238168
Ethyl (1-hydroxypropan-2-yl)carbamate
CID 12632741
ethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 12632742
ethyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 55303613
Propyl hydrogen (2-hydroxyethyl)carbonimidate
CID 244658

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidin-2-one;propan-1-ol?
The IUPAC name of 1,3-oxazolidin-2-one;propan-1-ol (CID 144673356) is 1,3-oxazolidin-2-one;propan-1-ol.
What is the SMILES notation for 1,3-oxazolidin-2-one;propan-1-ol?
The canonical SMILES for 1,3-oxazolidin-2-one;propan-1-ol is CCCO.O=C1NCCO1.
What is the InChIKey of 1,3-oxazolidin-2-one;propan-1-ol?
The InChIKey is AYPZTCKAUAGGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.C3H8O/c5-3-4-1-2-6-3;1-2-3-4/h1-2H2,(H,4,5);4H,2-3H2,1H3.
What are the key properties of 1,3-oxazolidin-2-one;propan-1-ol?
1,3-oxazolidin-2-one;propan-1-ol has a molecular weight of 147.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidin-2-one;propan-1-ol is sourced from PubChem (CID 144673356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).