(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine

C20H21ClN4O — CID 98448962

IUPAC(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCO[C@H](c3ccccc3Cl)C2)nnc1-c1ccccc1
InChIInChI=1S/C20H21ClN4O/c1-24-19(22-23-20(24)15-7-3-2-4-8-15)14-25-11-12-26-18(13-25)16-9-5-6-10-17(16)21/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyRATLAFUNSQTNAV-SFHVURJKSA-N
MW368.87 g/mol
LogP3.71
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine

(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 98448962) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID98448962
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCO[C@H](c3ccccc3Cl)C2)nnc1-c1ccccc1
InChIInChI=1S/C20H21ClN4O/c1-24-19(22-23-20(24)15-7-3-2-4-8-15)14-25-11-12-26-18(13-25)16-9-5-6-10-17(16)21/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyRATLAFUNSQTNAV-SFHVURJKSA-N
XLogP3.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 99816366
2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126771666
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126784932
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
(2S)-4-[(2-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 8523033
(2S)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304387
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
(2R)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304386
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
5-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]pentanenitrile
CID 95341250
2-[2-[2-(2-chlorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432795
2-(2-chlorophenyl)-4-[[(2S)-1,4-dioxan-2-yl]methyl]morpholine
CID 136589243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 98448962) is (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is Cn1c(CN2CCO[C@H](c3ccccc3Cl)C2)nnc1-c1ccccc1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is RATLAFUNSQTNAV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-24-19(22-23-20(24)15-7-3-2-4-8-15)14-25-11-12-26-18(13-25)16-9-5-6-10-17(16)21/h2-10,18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 368.87 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 98448962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).