4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine

C21H21N5O2 — CID 147119502

IUPAC4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1noc(C)c1-c1cc(N2CCOCC2)nc2c(C3=CC=NC3)nccc12
InChIInChI=1S/C21H21N5O2/c1-13-19(14(2)28-25-13)17-11-18(26-7-9-27-10-8-26)24-21-16(17)4-6-23-20(21)15-3-5-22-12-15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyBOBRQYBOJFKOQX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.21
Rot. Bonds3

About 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 147119502) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID147119502
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1noc(C)c1-c1cc(N2CCOCC2)nc2c(C3=CC=NC3)nccc12
InChIInChI=1S/C21H21N5O2/c1-13-19(14(2)28-25-13)17-11-18(26-7-9-27-10-8-26)24-21-16(17)4-6-23-20(21)15-3-5-22-12-15/h3-6,11H,7-10,12H2,1-2H3
InChIKeyBOBRQYBOJFKOQX-UHFFFAOYSA-N
XLogP3.21
TPSA76.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine
CID 161193635
4-[8-(2H-pyrrol-3-yl)-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-1,7-naphthyridin-2-yl]morpholine
CID 148960361
4-[8-(1H-pyrazol-5-yl)-4-(3,4,5-trimethylphenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130287257
5-methyl-3-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-1H-pyridin-2-one
CID 166750413
4-[4-phenyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869383
6,8-bis(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylchromen-4-one
CID 170982050
4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine
CID 121292971
4-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]quinolin-8-yl]morpholine
CID 90395805
4-[4-(6-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869521
4-[4-(2,4-difluorophenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890777
4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869091
4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 159119773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine (CID 147119502) is 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine is Cc1noc(C)c1-c1cc(N2CCOCC2)nc2c(C3=CC=NC3)nccc12.
What is the InChIKey of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is BOBRQYBOJFKOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-19(14(2)28-25-13)17-11-18(26-7-9-27-10-8-26)24-21-16(17)4-6-23-20(21)15-3-5-22-12-15/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 375.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-8-(2H-pyrrol-3-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 147119502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).