N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine

C16H24N4O — CID 74231878

IUPACN-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCC(C)c1nc(CN(C)Cc2n[nH]c3c2CCCC3)co1
InChIInChI=1S/C16H24N4O/c1-11(2)16-17-12(10-21-16)8-20(3)9-15-13-6-4-5-7-14(13)18-19-15/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyJTIBRTFRMUSRLY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.03
Rot. Bonds5

About N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine

N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (PubChem CID 74231878) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
PubChem CID74231878
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine
SMILESCC(C)c1nc(CN(C)Cc2n[nH]c3c2CCCC3)co1
InChIInChI=1S/C16H24N4O/c1-11(2)16-17-12(10-21-16)8-20(3)9-15-13-6-4-5-7-14(13)18-19-15/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyJTIBRTFRMUSRLY-UHFFFAOYSA-N
XLogP3.03
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine (CID 74231878) is N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is CC(C)c1nc(CN(C)Cc2n[nH]c3c2CCCC3)co1.
What is the InChIKey of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
The InChIKey is JTIBRTFRMUSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)16-17-12(10-21-16)8-20(3)9-15-13-6-4-5-7-14(13)18-19-15/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine?
N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine has a molecular weight of 288.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propan-2-yl-1,3-oxazol-4-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)methanamine is sourced from PubChem (CID 74231878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).