N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine

C20H19N5O3 — CID 21137704

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine
SMILESCNCc1ccncc1-c1cnc(Nc2ccc(-c3cnco3)c(OC)c2)o1
InChIInChI=1S/C20H19N5O3/c1-21-8-13-5-6-22-9-16(13)19-11-24-20(28-19)25-14-3-4-15(17(7-14)26-2)18-10-23-12-27-18/h3-7,9-12,21H,8H2,1-2H3,(H,24,25)
InChIKeyQTWYVJCQUMBWKW-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.86
Rot. Bonds7

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine (PubChem CID 21137704) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine
PubChem CID21137704
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine
SMILESCNCc1ccncc1-c1cnc(Nc2ccc(-c3cnco3)c(OC)c2)o1
InChIInChI=1S/C20H19N5O3/c1-21-8-13-5-6-22-9-16(13)19-11-24-20(28-19)25-14-3-4-15(17(7-14)26-2)18-10-23-12-27-18/h3-7,9-12,21H,8H2,1-2H3,(H,24,25)
InChIKeyQTWYVJCQUMBWKW-UHFFFAOYSA-N
XLogP3.86
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine with MolForge

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Related Compounds

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 10125842
N-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-2-morpholin-4-ylacetamide
CID 22459719
2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-1-methyl-1,2,4-triazol-1-ium-3-yl]acetamide
CID 90724983
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]acetamide
CID 67046571
2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 54453723
2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide
CID 90820920
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-phenyl-1,3,4-oxadiazol-2-amine
CID 22459619
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine
CID 23563141
3-methoxy-N-[(5-methylfuran-2-yl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 71736990
3-methoxy-4-(1,3-oxazol-5-yl)-N-[(E)-pyridin-4-ylmethylideneamino]aniline
CID 142947868
4-methoxy-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-amine
CID 22459608
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 22459642

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine (CID 21137704) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine is CNCc1ccncc1-c1cnc(Nc2ccc(-c3cnco3)c(OC)c2)o1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine?
The InChIKey is QTWYVJCQUMBWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-21-8-13-5-6-22-9-16(13)19-11-24-20(28-19)25-14-3-4-15(17(7-14)26-2)18-10-23-12-27-18/h3-7,9-12,21H,8H2,1-2H3,(H,24,25).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine has a molecular weight of 377.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-[4-(methylaminomethyl)-3-pyridinyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 21137704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).