3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

C16H26N4O — CID 74245488

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)Cc1coc(C(C)C)n1
InChIInChI=1S/C16H26N4O/c1-11(2)16-17-14(10-21-16)9-20(5)8-6-7-15-12(3)18-19-13(15)4/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyNWHIJYXMVWLMDK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 74245488) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
PubChem CID74245488
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)Cc1coc(C(C)C)n1
InChIInChI=1S/C16H26N4O/c1-11(2)16-17-14(10-21-16)9-20(5)8-6-7-15-12(3)18-19-13(15)4/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyNWHIJYXMVWLMDK-UHFFFAOYSA-N
XLogP3.20
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-di(propan-2-yl)-1H-pyrazole;ethane;4-ethyl-2-propan-2-yl-1,3-oxazole
CID 178788011
2-propan-2-yl-4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 56703570
4,5-dimethyl-2-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 71927060
3-(3,5-Dimethyl-1H-pyrazol-4-YL)-N,N-bis(1,3-oxazol-4-ylmethyl)propanamide
CID 72877148
1-(2-isopropyl-1,3-oxazol-4-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
CID 74231878
3-ethyl-5-[(2-isopropyl-1,3-oxazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 74238514
3-ethyl-4-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 74247180
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-[(2-isopropyl-1,3-oxazol-4-yl)methyl]-N-methylmethanamine
CID 77085286
1-(2-isopropyl-1,3-oxazol-4-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)methanamine
CID 77093325
1-(2-isopropyl-1,3-oxazol-4-yl)-N-methyl-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]methanamine
CID 124213593
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(1,3-oxazol-4-ylmethyl)morpholine
CID 128089421
2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide hydrochloride
CID 129621020

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (CID 74245488) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is Cc1n[nH]c(C)c1CCCN(C)Cc1coc(C(C)C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is NWHIJYXMVWLMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)16-17-14(10-21-16)9-20(5)8-6-7-15-12(3)18-19-13(15)4/h10-11H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 74245488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).