2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole

C15H16FN5O2 — CID 129001083

IUPAC2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
SMILESCCn1cnnc1C1CN(c2nc3cc(F)ccc3o2)CCO1
InChIInChI=1S/C15H16FN5O2/c1-2-20-9-17-19-14(20)13-8-21(5-6-22-13)15-18-11-7-10(16)3-4-12(11)23-15/h3-4,7,9,13H,2,5-6,8H2,1H3
InChIKeyFBSMFMDEGLNWQG-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole

2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole (PubChem CID 129001083) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
PubChem CID129001083
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
SMILESCCn1cnnc1C1CN(c2nc3cc(F)ccc3o2)CCO1
InChIInChI=1S/C15H16FN5O2/c1-2-20-9-17-19-14(20)13-8-21(5-6-22-13)15-18-11-7-10(16)3-4-12(11)23-15/h3-4,7,9,13H,2,5-6,8H2,1H3
InChIKeyFBSMFMDEGLNWQG-UHFFFAOYSA-N
XLogP2.16
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 126800921
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
2-[(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 97211645
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
CID 129337676
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 129334871
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine
CID 129343525
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
CID 129329476
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 129330853
1-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylpiperidin-4-one
CID 133497405
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole?
The IUPAC name of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole (CID 129001083) is 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole is CCn1cnnc1C1CN(c2nc3cc(F)ccc3o2)CCO1.
What is the InChIKey of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole?
The InChIKey is FBSMFMDEGLNWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-2-20-9-17-19-14(20)13-8-21(5-6-22-13)15-18-11-7-10(16)3-4-12(11)23-15/h3-4,7,9,13H,2,5-6,8H2,1H3.
What are the key properties of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole?
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole has a molecular weight of 317.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 129001083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).