(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate

C25H37N5O4 — CID 66643787

IUPAC(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCCCc1noc(C)c1CN.CCCCc1noc(C)c1CNc1ccc(C(=O)OC)cn1
InChIInChI=1S/C16H21N3O3.C9H16N2O/c1-4-5-6-14-13(11(2)22-19-14)10-18-15-8-7-12(9-17-15)16(20)21-3;1-3-4-5-9-8(6-10)7(2)12-11-9/h7-9H,4-6,10H2,1-3H3,(H,17,18);3-6,10H2,1-2H3
InChIKeyIQLSKOZGELYZHH-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.90
Rot. Bonds11

About (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate

(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate (PubChem CID 66643787) has the molecular formula C25H37N5O4 and a molecular weight of 471.60 g/mol. Its IUPAC name is (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate
PubChem CID66643787
Molecular FormulaC25H37N5O4
Molecular Weight471.60 g/mol
Exact Mass471.28
IUPAC Name(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate
SMILESCCCCc1noc(C)c1CN.CCCCc1noc(C)c1CNc1ccc(C(=O)OC)cn1
InChIInChI=1S/C16H21N3O3.C9H16N2O/c1-4-5-6-14-13(11(2)22-19-14)10-18-15-8-7-12(9-17-15)16(20)21-3;1-3-4-5-9-8(6-10)7(2)12-11-9/h7-9H,4-6,10H2,1-3H3,(H,17,18);3-6,10H2,1-2H3
InChIKeyIQLSKOZGELYZHH-UHFFFAOYSA-N
XLogP4.90
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine
CID 66643513
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 66598335
methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]pyridazine-4-carboxylate
CID 66643769
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168
ethyl 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-3-carboxylate
CID 106400737
6-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133347459
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015
ethyl 6-[(2-methoxynaphthalen-1-yl)methylamino]pyridine-3-carboxylate
CID 36727184
6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 59568543

Frequently Asked Questions

What is the IUPAC name of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate (CID 66643787) is (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate is CCCCc1noc(C)c1CN.CCCCc1noc(C)c1CNc1ccc(C(=O)OC)cn1.
What is the InChIKey of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is IQLSKOZGELYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.C9H16N2O/c1-4-5-6-14-13(11(2)22-19-14)10-18-15-8-7-12(9-17-15)16(20)21-3;1-3-4-5-9-8(6-10)7(2)12-11-9/h7-9H,4-6,10H2,1-3H3,(H,17,18);3-6,10H2,1-2H3.
What are the key properties of (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate?
(3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 471.60 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-5-methyl-1,2-oxazol-4-yl)methanamine;methyl 6-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 66643787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).