N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide

C23H29N7O3 — CID 163595492

IUPACN-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide
SMILESCC[C@@H](NCC(=O)c1cc(C(=O)NC(C)c2nnn(C)n2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C23H29N7O3/c1-4-18(16-8-6-5-7-9-16)24-13-21(31)17-12-19(30-10-11-33-14-20(17)30)23(32)25-15(2)22-26-28-29(3)27-22/h5-9,12,15,18,24H,4,10-11,13-14H2,1-3H3,(H,25,32)/t15?,18-/m1/s1
InChIKeyGTCDEYHRTGXICV-KPMSDPLLSA-N
MW451.53 g/mol
LogP1.96
Rot. Bonds9

About N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide

N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide (PubChem CID 163595492) has the molecular formula C23H29N7O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide
PubChem CID163595492
Molecular FormulaC23H29N7O3
Molecular Weight451.53 g/mol
Exact Mass451.23
IUPAC NameN-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide
SMILESCC[C@@H](NCC(=O)c1cc(C(=O)NC(C)c2nnn(C)n2)n2c1COCC2)c1ccccc1
InChIInChI=1S/C23H29N7O3/c1-4-18(16-8-6-5-7-9-16)24-13-21(31)17-12-19(30-10-11-33-14-20(17)30)23(32)25-15(2)22-26-28-29(3)27-22/h5-9,12,15,18,24H,4,10-11,13-14H2,1-3H3,(H,25,32)/t15?,18-/m1/s1
InChIKeyGTCDEYHRTGXICV-KPMSDPLLSA-N
XLogP1.96
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide?
The IUPAC name of N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide (CID 163595492) is N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide.
What is the SMILES notation for N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide?
The canonical SMILES for N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide is CC[C@@H](NCC(=O)c1cc(C(=O)NC(C)c2nnn(C)n2)n2c1COCC2)c1ccccc1.
What is the InChIKey of N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide?
The InChIKey is GTCDEYHRTGXICV-KPMSDPLLSA-N. The full InChI is InChI=1S/C23H29N7O3/c1-4-18(16-8-6-5-7-9-16)24-13-21(31)17-12-19(30-10-11-33-14-20(17)30)23(32)25-15(2)22-26-28-29(3)27-22/h5-9,12,15,18,24H,4,10-11,13-14H2,1-3H3,(H,25,32)/t15?,18-/m1/s1.
What are the key properties of N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide?
N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyltetrazol-5-yl)ethyl]-8-[2-[[(1R)-1-phenylpropyl]amino]acetyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carboxamide is sourced from PubChem (CID 163595492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).