(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

C10H13ClN4O2 — CID 151579387

IUPAC(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nc(Cl)nc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C10H13ClN4O2/c1-5(2)7-4-17-10(16)15(7)9-13-6(3)12-8(11)14-9/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyQGDPFSVUKABVGL-SSDOTTSWSA-N
MW256.69 g/mol
LogP1.81
Rot. Bonds2

About (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 151579387) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID151579387
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1nc(Cl)nc(N2C(=O)OC[C@@H]2C(C)C)n1
InChIInChI=1S/C10H13ClN4O2/c1-5(2)7-4-17-10(16)15(7)9-13-6(3)12-8(11)14-9/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyQGDPFSVUKABVGL-SSDOTTSWSA-N
XLogP1.81
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 151579387) is (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1nc(Cl)nc(N2C(=O)OC[C@@H]2C(C)C)n1.
What is the InChIKey of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QGDPFSVUKABVGL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-5(2)7-4-17-10(16)15(7)9-13-6(3)12-8(11)14-9/h5,7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 256.69 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 151579387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).