N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine

C16H23N3OS — CID 77080388

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCc1cc(CN(C)Cc2ccc(CN3CCCC3)s2)on1
InChIInChI=1S/C16H23N3OS/c1-13-9-14(20-17-13)10-18(2)11-15-5-6-16(21-15)12-19-7-3-4-8-19/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyMTYPIYHNCIYTMO-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.27
Rot. Bonds6

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine (PubChem CID 77080388) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
PubChem CID77080388
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCc1cc(CN(C)Cc2ccc(CN3CCCC3)s2)on1
InChIInChI=1S/C16H23N3OS/c1-13-9-14(20-17-13)10-18(2)11-15-5-6-16(21-15)12-19-7-3-4-8-19/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyMTYPIYHNCIYTMO-UHFFFAOYSA-N
XLogP3.27
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 74247763
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
CID 74246051
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 99932643
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
(2R)-1-[2-methoxy-5-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 97268284
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 77098175
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine
CID 130920640
3-methyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 53017358
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine (CID 77080388) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine is Cc1cc(CN(C)Cc2ccc(CN3CCCC3)s2)on1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The InChIKey is MTYPIYHNCIYTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13-9-14(20-17-13)10-18(2)11-15-5-6-16(21-15)12-19-7-3-4-8-19/h5-6,9H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine has a molecular weight of 305.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 77080388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).