(1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine

C19H31N5O3 — CID 129337020

IUPAC(1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCCc1nn(C)c(OC)c1CN[C@@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C19H31N5O3/c1-6-15-14(19(25-5)24(4)22-15)11-20-16(13-7-9-26-10-8-13)18-21-17(12(2)3)23-27-18/h12-13,16,20H,6-11H2,1-5H3/t16-/m1/s1
InChIKeyRPEVYCFCWCSKGI-MRXNPFEDSA-N
MW377.49 g/mol
LogP2.76
Rot. Bonds8

About (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine

(1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 129337020) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID129337020
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name(1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESCCc1nn(C)c(OC)c1CN[C@@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C19H31N5O3/c1-6-15-14(19(25-5)24(4)22-15)11-20-16(13-7-9-26-10-8-13)18-21-17(12(2)3)23-27-18/h12-13,16,20H,6-11H2,1-5H3/t16-/m1/s1
InChIKeyRPEVYCFCWCSKGI-MRXNPFEDSA-N
XLogP2.76
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 129337020) is (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine is CCc1nn(C)c(OC)c1CN[C@@H](c1nc(C(C)C)no1)C1CCOCC1.
What is the InChIKey of (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is RPEVYCFCWCSKGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-6-15-14(19(25-5)24(4)22-15)11-20-16(13-7-9-26-10-8-13)18-21-17(12(2)3)23-27-18/h12-13,16,20H,6-11H2,1-5H3/t16-/m1/s1.
What are the key properties of (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
(1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 377.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 129337020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).