10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide

C19H26N4O3 — CID 126426430

IUPAC10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide
SMILESCOc1cccc2c1OCCCN(C(=O)N[C@H](C)CCn1cccn1)C2
InChIInChI=1S/C19H26N4O3/c1-15(8-12-23-11-4-9-20-23)21-19(24)22-10-5-13-26-18-16(14-22)6-3-7-17(18)25-2/h3-4,6-7,9,11,15H,5,8,10,12-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyFSZXWSCUHWMXPN-OAHLLOKOSA-N
MW358.44 g/mol
LogP2.66
Rot. Bonds5

About 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide

10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide (PubChem CID 126426430) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide.

Molecular Properties

Compound Name10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide
PubChem CID126426430
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide
SMILESCOc1cccc2c1OCCCN(C(=O)N[C@H](C)CCn1cccn1)C2
InChIInChI=1S/C19H26N4O3/c1-15(8-12-23-11-4-9-20-23)21-19(24)22-10-5-13-26-18-16(14-22)6-3-7-17(18)25-2/h3-4,6-7,9,11,15H,5,8,10,12-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyFSZXWSCUHWMXPN-OAHLLOKOSA-N
XLogP2.66
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 126435475
(2R)-2-amino-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-4-methylpentan-1-one
CID 56878940
(2S)-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 99943592
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 77083454
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 77090071
(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-[1-(2-morpholin-4-ylethyl)triazol-4-yl]methanone
CID 28854239
3-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72925186
1-[2-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)phenyl]ethanone
CID 77091655
2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 77084904
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 72883472
10-methoxy-5-[(3R)-3-methylsulfanylbutyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 99961723
10-methoxy-5-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 124731591

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide?
The IUPAC name of 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide (CID 126426430) is 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide.
What is the SMILES notation for 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide?
The canonical SMILES for 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide is COc1cccc2c1OCCCN(C(=O)N[C@H](C)CCn1cccn1)C2.
What is the InChIKey of 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide?
The InChIKey is FSZXWSCUHWMXPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-15(8-12-23-11-4-9-20-23)21-19(24)22-10-5-13-26-18-16(14-22)6-3-7-17(18)25-2/h3-4,6-7,9,11,15H,5,8,10,12-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide?
10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carboxamide is sourced from PubChem (CID 126426430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).