4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C24H25N5O3 — CID 154974845

IUPAC4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OCC2C2CC2)n1
InChIInChI=1S/C24H25N5O3/c1-15(17-10-12-20(13-11-17)32-19-6-4-3-5-7-19)25-22-26-16(2)27-23(28-22)29-21(18-8-9-18)14-31-24(29)30/h3-7,10-13,15,18,21H,8-9,14H2,1-2H3,(H,25,26,27,28)/t15-,21?/m0/s1
InChIKeyBXMQGMJJZIWYTD-ZDGMYTEDSA-N
MW431.50 g/mol
LogP4.88
Rot. Bonds7

About 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154974845) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
PubChem CID154974845
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
SMILESCc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OCC2C2CC2)n1
InChIInChI=1S/C24H25N5O3/c1-15(17-10-12-20(13-11-17)32-19-6-4-3-5-7-19)25-22-26-16(2)27-23(28-22)29-21(18-8-9-18)14-31-24(29)30/h3-7,10-13,15,18,21H,8-9,14H2,1-2H3,(H,25,26,27,28)/t15-,21?/m0/s1
InChIKeyBXMQGMJJZIWYTD-ZDGMYTEDSA-N
XLogP4.88
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154974845) is 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is Cc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OCC2C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is BXMQGMJJZIWYTD-ZDGMYTEDSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15(17-10-12-20(13-11-17)32-19-6-4-3-5-7-19)25-22-26-16(2)27-23(28-22)29-21(18-8-9-18)14-31-24(29)30/h3-7,10-13,15,18,21H,8-9,14H2,1-2H3,(H,25,26,27,28)/t15-,21?/m0/s1.
What are the key properties of 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?
4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 431.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154974845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).